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_WuTrinkle_2009_CuAg__MO_270337113239_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 17:50:10 -6.503788 0.6532 BFGS: 1 17:50:10 -6.521100 0.5850 BFGS: 2 17:50:10 -6.578437 0.1594 BFGS: 3 17:50:10 -6.581993 0.0372 BFGS: 4 17:50:10 -6.582173 0.0028 BFGS: 5 17:50:10 -6.582174 0.0002 BFGS: 6 17:50:10 -6.582174 0.0000 BFGS: 7 17:50:10 -6.582174 0.0000 BFGS: 8 17:50:10 -6.582174 0.0000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.726726896747971e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.767982130340504, 1.8072361899749062e-34, 1.3842643907824358e-32], [6.898927727227541e-33, 2.7679821303405046, -3.3472408962678118e-18], [-7.512721446225106e-33, -3.347240896267793e-18, 2.767982130340504]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 6.72672690e-14 6.72672690e-14 6.72672690e-14 -9.53274415e-31 1.67580184e-35 2.25617509e-51] energy per atom = -3.248863251626148 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0