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_MendelevSordeletKramer_2007_CuZr__MO_120596890176_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 17:49:24 -6.481728 0.1715 BFGS: 1 17:49:24 -6.482896 0.1458 BFGS: 2 17:49:24 -6.485218 0.0472 BFGS: 3 17:49:24 -6.485421 0.0068 BFGS: 4 17:49:24 -6.485425 0.0002 BFGS: 5 17:49:24 -6.485425 0.0000 BFGS: 6 17:49:24 -6.485425 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.7093481380238493e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8947490757260725, 9.211577918945326e-33, -6.151782159196882e-33], [-4.24593392958546e-33, 2.894749075726073, -2.467039587968853e-19], [-1.260691151441505e-32, -2.467039587968761e-19, 2.8947490757260725]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 1.70934814e-11 1.70934814e-11 1.70934814e-11 -8.50045617e-28 -2.39412821e-37 1.47308110e-53] energy per atom = -3.2427126026521025 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0