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_ZhouJohnsonWadley_2004_Au__MO_468407568810_005 ==== 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 16:48:10 -15.667481 0.6504 BFGS: 1 16:48:10 -15.684134 0.5437 BFGS: 2 16:48:10 -15.719610 0.0612 BFGS: 3 16:48:10 -15.720007 0.0043 BFGS: 4 16:48:10 -15.720009 0.0000 BFGS: 5 16:48:10 -15.720009 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.3018928425026547e-11 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([[4.080066545803976, 1.6712829777547373e-32, -1.760690466966995e-32], [1.41169640385616e-32, 4.080066545803976, 9.952063200259574e-19], [-4.1625804622912256e-33, 9.952063200259484e-19, 4.080066545803976]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 5.30189284e-11 5.30189284e-11 5.30189284e-11 -1.26664279e-26 -3.08513892e-35 8.18803424e-51] energy per atom = -3.930002284216699 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0