element(s): ['Nb'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.3383'] model name: MEAM_LAMMPS_SaLee_2008_NbFe__MO_162036141261_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Nb'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.3383, 0, 0], [0, 3.3383, 0], [0, 0, 3.3383]] ========================================= Step Time Energy fmax BFGS: 0 18:03:17 -14.920079 0.6074 BFGS: 1 18:03:17 -14.932822 0.3698 BFGS: 2 18:03:17 -14.939978 0.0210 BFGS: 3 18:03:17 -14.940000 0.0007 BFGS: 4 18:03:17 -14.940000 0.0000 BFGS: 5 18:03:17 -14.940000 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.4268625142474167e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Nb', 'Nb'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.302443534696232, -1.2254268917389666e-33, 9.245837579594795e-34], [1.5764140029302808e-34, 3.302443534696232, -8.43188482157947e-20], [1.6681631532637766e-33, -8.43188482157944e-20, 3.302443534696232]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.42686251e-12 -3.42686251e-12 -3.42686251e-12 1.95872149e-27 2.32512082e-34 -1.05674682e-49] energy per atom = -7.470000012784166 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0