element(s): ['W'] 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: ['3.2041'] model name: MEAM_LAMMPS_ShimParkCho_2003_NiW__MO_500937681860_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['W'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.2041, 0, 0], [0, 3.2041, 0], [0, 0, 3.2041]] ========================================= Step Time Energy fmax BFGS: 0 18:14:23 -17.276954 1.1157 BFGS: 1 18:14:23 -17.314084 0.4265 BFGS: 2 18:14:23 -17.319965 0.0333 BFGS: 3 18:14:23 -17.320000 0.0009 BFGS: 4 18:14:23 -17.320000 0.0000 BFGS: 5 18:14:23 -17.320000 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.918343248713756e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['W', 'W'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.1638794584789873, 7.791650312492731e-33, 1.7563371590022577e-32], [1.2719862453948275e-32, 3.163879458478987, -3.2442148072700458e-18], [-2.1748357030946405e-33, -3.2442148072700242e-18, 3.1638794584789873]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.91834325e-12 -5.91834325e-12 -5.91834325e-12 4.67276584e-28 3.07836853e-34 -2.81565225e-50] energy per atom = -8.66000000736902 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0