element(s): ['Au'] 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: ['4.134'] model name: EAM_Dynamo_Olsson_2010_Au__MO_228280943430_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Au'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.134, 0, 0], [0, 4.134, 0], [0, 0, 4.134]] ========================================= Step Time Energy fmax BFGS: 0 16:48:11 -15.183108 0.7047 BFGS: 1 16:48:11 -15.202498 0.5787 BFGS: 2 16:48:11 -15.239634 0.0602 BFGS: 3 16:48:11 -15.239998 0.0044 BFGS: 4 16:48:11 -15.240000 0.0000 BFGS: 5 16:48:11 -15.240000 0.0000 BFGS: 6 16:48:11 -15.240000 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.1217233645946836e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Au', 'Au', 'Au', 'Au'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[4.079999999905938, 1.9161882909568525e-33, 7.535631075733971e-33], [2.0145343396922208e-33, 4.079999999905938, 9.257295221875344e-19], [-6.317212194574388e-33, 9.257295221875545e-19, 4.079999999905938]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 3.12172336e-15 3.12172336e-15 3.12172336e-15 -5.48516665e-31 -4.82068682e-36 4.28711058e-52] energy per atom = -3.810000099994811 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0