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_FoilesBaskesDaw_1986Universal3_Au__MO_559016907324_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 15:03:28 -15.667238 0.654615 BFGS: 1 15:03:28 -15.684081 0.545537 BFGS: 2 15:03:28 -15.719692 0.053070 BFGS: 3 15:03:28 -15.719998 0.003725 BFGS: 4 15:03:28 -15.720000 0.000023 BFGS: 5 15:03:28 -15.720000 0.000000 BFGS: 6 15:03:28 -15.720000 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.4041974013044628e-16 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Au', 'Au', 'Au', 'Au'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [4.19257208e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 7.37565080e-37 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.080000018305072, 8.694635847066535e-35, -1.1190414001429938e-34], [-2.4294361434132752e-33, 4.080000018305072, -3.346087707008945e-20], [1.02686645710048e-34, -3.346087707009001e-20, 4.080000018305072]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [1.40419740e-16 1.40419740e-16 1.40419740e-16 2.44969671e-34 7.71309884e-36 1.55338323e-53] energy per atom = -3.930000000176804 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0