element(s): ['Fe'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.9647'] model name: EAM_Dynamo_Olsson_2009_Fe__MO_024705128470_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Fe'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]] ========================================= Step Time Energy fmax BFGS: 0 17:53:15 -8.452995 1.0374 BFGS: 1 17:53:15 -8.494765 0.8379 BFGS: 2 17:53:15 -8.559973 0.0189 BFGS: 3 17:53:15 -8.559999 0.0033 BFGS: 4 17:53:15 -8.560000 0.0000 BFGS: 5 17:53:15 -8.560000 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.3335837840494826e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Fe', 'Fe'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8700000684992815, -7.538279963028305e-33, -4.2050282608596824e-33], [-1.360209921911736e-32, 2.8700000684992815, -2.4163491708288527e-19], [4.042386334038631e-33, -2.416349170829364e-19, 2.8700000684992815]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-4.33358378e-10 -4.33358378e-10 -4.33358378e-10 -2.81997347e-28 1.24702569e-34 -2.41164512e-52] energy per atom = -4.279999830465951 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0