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_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_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 17:49:22 -6.988876 0.0724 BFGS: 1 17:49:22 -6.989078 0.0577 BFGS: 2 17:49:22 -6.989427 0.0006 BFGS: 3 17:49:22 -6.989427 0.0000 BFGS: 4 17:49:22 -6.989427 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.357588455492141e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8682233620425692, 3.670513223996376e-33, 5.159366587050691e-35], [3.141904033211281e-33, 2.8682233620425697, 8.281749666963434e-22], [-3.47856295827567e-33, 8.28174966701622e-22, 2.8682233620425692]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 7.35758846e-11 7.35758846e-11 7.35758846e-11 1.02194677e-26 -4.99428437e-34 -1.03631527e-49] energy per atom = -3.494718647514354 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0