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_Ni__MO_110256178378_005 ==== 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 16:07:07 -8.730719 0.147565 BFGS: 1 16:07:07 -8.731586 0.126808 BFGS: 2 16:07:07 -8.734110 0.005526 BFGS: 3 16:07:07 -8.734115 0.000030 BFGS: 4 16:07:07 -8.734115 0.000000 BFGS: 5 16:07:07 -8.734115 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.530170145265392e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8060854912019084, 2.846774150839494e-33, 2.248223678591048e-33], [7.78162780037951e-33, 2.8060854912019084, -3.6180954707132093e-19], [5.521816091236559e-33, -3.6180954707132e-19, 2.8060854912019084]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-4.53017015e-13 -4.53017015e-13 -4.53017015e-13 1.10910317e-30 3.26119994e-35 1.78113566e-51] energy per atom = -4.367057499121601 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0