element(s): ['Ag'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.1492'] model name: EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.1492, 0, 0], [0, 4.1492, 0], [0, 0, 4.1492]] ========================================= Step Time Energy fmax BFGS: 0 16:46:16 -11.360123 0.4535 BFGS: 1 16:46:16 -11.368477 0.4063 BFGS: 2 16:46:16 -11.399984 0.0043 BFGS: 3 16:46:16 -11.399988 0.0000 BFGS: 4 16:46:16 -11.399988 0.0000 BFGS: 5 16:46:16 -11.399988 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.435576775853091e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[4.0900691975406795, -4.0201079351903473e-33, 1.3140348548297706e-33], [-3.011695498228728e-33, 4.0900691975406795, -4.88606008114402e-24], [7.938900893034583e-33, -4.886060080141425e-24, 4.0900691975406795]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 3.43557678e-12 3.43557678e-12 3.43557678e-12 2.97242375e-28 -1.62684025e-59 -5.22878732e-61] energy per atom = -2.82825414184154 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0