element(s): ['Ag'] AFLOW prototype label: A_hP4_194_ac 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: ['2.9312', '3.2802265'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Ag__MO_505250810900_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag', 'Ag'] representative atom coordinates = [[0. 0. 0. ] [0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[2.9312, 0, 0], [-1.4656, 2.5384936635729, 0], [0, 0, 9.615]] ========================================= Step Time Energy fmax BFGS: 0 15:18:42 -11.360115 0.4427 BFGS: 1 15:18:42 -11.367726 0.3983 BFGS: 2 15:18:42 -11.396886 0.0208 BFGS: 3 15:18:42 -11.396896 0.0214 BFGS: 4 15:18:42 -11.396994 0.0164 BFGS: 5 15:18:42 -11.397020 0.0070 BFGS: 6 15:18:42 -11.397025 0.0010 BFGS: 7 15:18:42 -11.397025 0.0001 BFGS: 8 15:18:42 -11.397025 0.0000 BFGS: 9 15:18:42 -11.397025 0.0000 BFGS: 10 15:18:42 -11.397025 0.0000 Minimization converged after 10 steps. Maximum force component: 1.2209669266869499e-32 eV/Angstrom Maximum stress component: 1.2494226668512114e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0. 0. 0. ] [0. 0. 0.5 ] [0.33333333 0.66666667 0.25 ] [0.66666667 0.33333333 0.75 ]] cellpar = Cell([[2.8869367997082045, 1.556877619278103e-17, 9.780456688104645e-40], [-1.4434683998541022, 2.5001606076674525, -7.891166018284273e-38], [-1.2696110269993275e-37, -4.8941090681889954e-36, 9.50943410671736]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 7.87672054e-33 -5.93866549e-33 -1.22096693e-32] [-7.41338404e-33 5.13614313e-33 -1.63617136e-70]] stress = [ 1.24942267e-10 1.24942267e-10 9.53326904e-11 -2.16016356e-34 -7.48302609e-35 -4.26983730e-27] energy per atom = -2.849256273344156 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0