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_2004_Ag__MO_947112899505_005 ==== 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 10:47:57 -11.360115 0.442622 BFGS: 1 10:47:57 -11.367724 0.398468 BFGS: 2 10:47:57 -11.396886 0.020879 BFGS: 3 10:47:57 -11.396896 0.021550 BFGS: 4 10:47:57 -11.396992 0.017024 BFGS: 5 10:47:57 -11.397019 0.007481 BFGS: 6 10:47:57 -11.397025 0.001172 BFGS: 7 10:47:57 -11.397026 0.000109 BFGS: 8 10:47:58 -11.397026 0.000007 BFGS: 9 10:47:58 -11.397026 0.000000 BFGS: 10 10:47:58 -11.397026 0.000000 Minimization converged after 10 steps. Maximum force component: 1.892479657661306e-32 eV/Angstrom Maximum stress component: 2.562546348020594e-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([[2.8869376497667365, 4.6294399544865105e-18, -3.031841842826579e-39], [-1.4434688248833683, 2.500161343839737, 2.0087915552132206e-37], [1.4921655354598418e-37, 8.05837734549817e-37, 9.509338239983094]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 1.33440952e-32 -7.70421696e-33 1.89247966e-32] [-4.44803173e-33 2.56807232e-33 2.09449758e-70]] stress = [ 2.56254635e-10 2.56254635e-10 2.12791301e-10 -3.45629553e-34 -2.68632345e-46 6.63290927e-26] energy per atom = -2.849256395885522 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0