element(s): ['Ni'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.5048'] model name: EAM_Dynamo_PanBorovikovMendelev_2108_AgNi__MO_222110751402_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]] ========================================= Step Time Energy fmax BFGS: 0 15:30:04 -17.538853 0.139894 BFGS: 1 15:30:04 -17.539636 0.121384 BFGS: 2 15:30:04 -17.542035 0.000911 BFGS: 3 15:30:04 -17.542035 0.000006 BFGS: 4 15:30:04 -17.542035 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.883389410244906e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [4.86216750e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 4.27680776e-37]] cellpar = Cell([[3.518121115767854, -1.8231123151188063e-33, -1.3993726143342017e-34], [-2.2644918117423885e-33, 3.518121115767854, -1.9302806030318786e-20], [-9.370069717538166e-36, -1.9302806030319608e-20, 3.518121115767854]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.88338941e-11 -3.88338941e-11 -3.88338941e-11 -2.20604472e-28 -5.18677797e-36 -9.13603250e-53] energy per atom = -4.385508769565722 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0