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: MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_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 16:08:42 -8.456215 1.128478 BFGS: 1 16:08:42 -8.505480 0.904798 BFGS: 2 16:08:42 -8.579873 0.041375 BFGS: 3 16:08:42 -8.579996 0.007207 BFGS: 4 16:08:42 -8.580000 0.000045 BFGS: 5 16:08:42 -8.580000 0.000000 BFGS: 6 16:08:42 -8.580000 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.857718498949184e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Fe', 'Fe'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8636573196513915, 1.1182147767339012e-32, 6.03576056196331e-34], [1.0844324493173689e-32, 2.8636573196513915, 2.7224810955218114e-19], [5.11308762046125e-34, 2.7224810955213165e-19, 2.8636573196513915]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.85771850e-14 -2.85771850e-14 -2.85771850e-14 -6.17531604e-31 1.45296749e-63 -2.31367399e-62] energy per atom = -4.290000011227216 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0