element(s): ['Cu'] 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: ['2.8755'] model name: EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.8755, 0, 0], [0, 2.8755, 0], [0, 0, 2.8755]] ========================================= Step Time Energy fmax BFGS: 0 16:02:14 -7.023069 0.056826 BFGS: 1 16:02:14 -7.023193 0.044770 BFGS: 2 16:02:14 -7.023390 0.001750 BFGS: 3 16:02:14 -7.023390 0.000068 BFGS: 4 16:02:14 -7.023390 0.000000 BFGS: 5 16:02:14 -7.023390 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.423174904684712e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.870155431100603, 1.787061234552869e-34, -6.033032460621031e-34], [1.1094378282445122e-32, 2.8701554311006032, 1.0791247858170237e-21], [9.095035733237672e-34, 1.0791247858163071e-21, 2.870155431100603]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.42317490e-13 -5.42317490e-13 -5.42317490e-13 7.53534539e-31 -3.74067206e-34 4.12642579e-51] energy per atom = -3.5116952176549336 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0