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 18:13:19 -17.777139 1.1850 BFGS: 1 18:13:19 -17.816107 0.3536 BFGS: 2 18:13:19 -17.819998 0.0073 BFGS: 3 18:13:19 -17.820000 0.0000 BFGS: 4 18:13:19 -17.820000 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.7376903782474997e-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, 3.886796287508102e-33, -1.1524154113605171e-32], [6.482768705217408e-33, 3.16520000138029, -1.192862903091262e-19], [3.102011360796342e-33, -1.192862903091327e-19, 3.1652000013802906]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.73769038e-10 -3.73769038e-10 -3.73769038e-10 1.25273938e-25 2.05053362e-34 -3.64139154e-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