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_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_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 -6.988442 0.0719 BFGS: 1 17:50:10 -6.988641 0.0573 BFGS: 2 17:50:10 -6.988986 0.0006 BFGS: 3 17:50:10 -6.988986 0.0000 BFGS: 4 17:50:10 -6.988986 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.312961640419304e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.868270080542028, 2.86635388404017e-33, 2.048113084097318e-34], [-2.8656557993442618e-33, 2.8682700805420285, -2.9753450516508434e-20], [-9.832222913159693e-33, -2.9753450516499124e-20, 2.868270080542028]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 7.31296164e-11 7.31296164e-11 7.31296164e-11 3.24757417e-26 -6.24265210e-35 -6.92944594e-51] energy per atom = -3.4944929921931793 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0