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_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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 17:08:33 -8.730736 0.147247 BFGS: 1 17:08:33 -8.731600 0.126563 BFGS: 2 17:08:33 -8.734122 0.005509 BFGS: 3 17:08:33 -8.734127 0.000187 BFGS: 4 17:08:33 -8.734127 0.000000 BFGS: 5 17:08:33 -8.734127 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.0321080759936578e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8060917066011353, -1.1911901043625303e-34, -8.666706297078267e-35], [4.037731377607453e-33, 2.8060917066011353, 2.9794956930804366e-20], [4.988459059510844e-33, 2.979495693080352e-20, 2.8060917066011353]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.03210808e-12 -1.03210808e-12 -1.03210808e-12 2.18142425e-28 -1.95671130e-34 3.92927200e-50] energy per atom = -4.367063489892195 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0