element(s): ['Ni'] 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: ['2.7844'] model name: EAM_Dynamo_StollerTammBeland_2016_Ni__MO_103383163946_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]] ========================================= Step Time Energy fmax BFGS: 0 18:05:09 -8.762665 0.1618 BFGS: 1 18:05:09 -8.763675 0.1295 BFGS: 2 18:05:09 -8.765426 0.0052 BFGS: 3 18:05:09 -8.765428 0.0002 BFGS: 4 18:05:09 -8.765428 0.0000 BFGS: 5 18:05:09 -8.765428 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.034422451916948e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7687465524371855, 3.7106402706270525e-33, 6.720484158308567e-35], [-5.9364857670908736e-33, 2.7687465524371855, 3.395889025925632e-21], [-2.8697860931575822e-33, 3.3958890259286006e-21, 2.7687465524371855]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-4.03442245e-12 -4.03442245e-12 -4.03442245e-12 -7.54648295e-28 -6.69950649e-35 -1.06859676e-51] energy per atom = -4.35548281800468 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0