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_Olsson_2009_W__MO_670013535154_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 18:13:19 -17.749690 1.1718 BFGS: 1 18:13:19 -17.791917 0.4928 BFGS: 2 18:13:19 -17.799877 0.0652 BFGS: 3 18:13:19 -17.800009 0.0029 BFGS: 4 18:13:19 -17.800010 0.0000 BFGS: 5 18:13:19 -17.800010 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.293970538718941e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['W', 'W'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.159998934226228, 1.0477875775315713e-32, -3.695370027628756e-33], [1.842047231030113e-32, 3.1599989342262274, 4.1592696961092034e-18], [4.173949189720407e-33, 4.1592696961091965e-18, 3.159998934226228]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.29397054e-10 -2.29397054e-10 -2.29397054e-10 2.11924165e-27 -3.85741717e-34 2.53889751e-51] energy per atom = -8.90000469020605 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0