element(s): ['Ag'] AFLOW prototype label: A_hP2_194_c Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.933', '1.6373338'] model name: EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[2.933, 0, 0], [-1.4665, 2.5400525092998, 0], [0, 0, 4.8023]] ========================================= Step Time Energy fmax BFGS: 0 14:46:17 -5.665018 0.5378 BFGS: 1 14:46:17 -5.674812 0.4496 BFGS: 2 14:46:17 -5.691324 0.0929 BFGS: 3 14:46:17 -5.691682 0.0629 BFGS: 4 14:46:17 -5.691775 0.0613 BFGS: 5 14:46:17 -5.692293 0.0092 BFGS: 6 14:46:17 -5.692298 0.0015 BFGS: 7 14:46:17 -5.692299 0.0001 BFGS: 8 14:46:17 -5.692299 0.0000 BFGS: 9 14:46:17 -5.692299 0.0000 BFGS: 10 14:46:17 -5.692299 0.0000 Minimization converged after 10 steps. Maximum force component: 2.677572676844262e-32 eV/Angstrom Maximum stress component: 5.404131788946789e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag'] basis = [[0.33333333 0.66666667 0.25 ] [0.66666666 0.33333334 0.75 ]] cellpar = Cell([[2.8964067080160736, 1.4549555927157276e-17, 4.3509702217250085e-37], [-1.4482033540080368, 2.508361788833578, -1.9538203250801436e-37], [7.163804718264124e-37, 5.27733290445099e-36, 4.679359103549718]]) forces = [[ 2.67757268e-32 -5.15299102e-33 3.97670148e-69] [-2.67757268e-32 5.15299102e-33 -3.97670148e-69]] stress = [-4.81408147e-11 -4.81408147e-11 -5.40413179e-11 -1.92524207e-33 -3.03147007e-34 -3.16558256e-26] energy per atom = -2.82440653917496 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0