element(s): ['Al'] 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: ['3.233'] model name: EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 3.233]] ========================================= Step Time Energy fmax BFGS: 0 13:54:12 -6.513938 0.0124 BFGS: 1 13:54:12 -6.513945 0.0114 BFGS: 2 13:54:12 -6.513981 0.0000 BFGS: 3 13:54:12 -6.513981 0.0000 BFGS: 4 13:54:12 -6.513981 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.398579428025158e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.2293048190743368, -2.5446032218554356e-33, -3.2729846716367058e-34], [-1.3271192917379636e-40, 3.2293048190743368, -6.274322262218978e-23], [-3.4750883870444225e-34, -6.274322262218978e-23, 3.2293048190743368]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 2.39857943e-12 2.39857943e-12 2.39857943e-12 -1.41322947e-28 9.84965757e-35 -9.52178377e-51] energy per atom = -3.2569904808036045 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0