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_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_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 15:37:10 -5.665022 0.536982 BFGS: 1 15:37:10 -5.674810 0.450024 BFGS: 2 15:37:10 -5.691288 0.097445 BFGS: 3 15:37:10 -5.691689 0.064562 BFGS: 4 15:37:10 -5.691780 0.060948 BFGS: 5 15:37:10 -5.692305 0.001796 BFGS: 6 15:37:10 -5.692305 0.000042 BFGS: 7 15:37:10 -5.692305 0.000002 BFGS: 8 15:37:10 -5.692305 0.000000 Minimization converged after 8 steps. Maximum force component: 1.6362846380339625e-32 eV/Angstrom Maximum stress component: 2.009344856695538e-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([[2.8963894042270026, 1.8499442512473962e-17, 1.2166398832682798e-38], [-1.4481947021135013, 2.5083468033126595, 1.8888195448464818e-38], [5.543967074079448e-36, 1.922180724923513e-35, 4.6793089768534335]]) forces = [[-1.63628464e-32 7.72944035e-33 8.21626470e-72] [-7.43765745e-33 -7.72944035e-33 -1.08191227e-70]] stress = [-1.22084043e-11 -1.22084043e-11 -2.00934486e-11 8.75124634e-35 4.42562570e-47 -2.22000037e-27] energy per atom = -2.846152471576453 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0