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: EAM_Dynamo_HanZepedaAckland_2003_W__MO_286137913440_000 ==== 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 16:17:29 -17.777139 1.184977 BFGS: 1 16:17:29 -17.816107 0.353643 BFGS: 2 16:17:29 -17.819998 0.007265 BFGS: 3 16:17:29 -17.820000 0.000047 BFGS: 4 16:17:29 -17.820000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.7376903782474986e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['W', 'W'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.1652000013802906, -3.252583882524111e-33, 7.3412741151466315e-34], [-9.811290395415214e-34, 3.16520000138029, -1.1921371306690687e-19], [-1.7548720698176483e-33, -1.1921371306690656e-19, 3.1652000013802906]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.73769038e-10 -3.73769038e-10 -3.73769038e-10 -3.12535691e-26 5.12633406e-34 2.39576252e-50] energy per atom = -8.909999810666127 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0