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_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 ==== 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 15:22:32 -17.795808 0.162188 BFGS: 1 15:22:32 -17.796859 0.140139 BFGS: 2 15:22:32 -17.799999 0.002794 BFGS: 3 15:22:32 -17.800000 0.000050 BFGS: 4 15:22:32 -17.800000 0.000000 BFGS: 5 15:22:32 -17.800000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.0501098216593841e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.70980998e-36]] cellpar = Cell([[3.5199999599095957, 3.355626433950098e-33, 7.816967174191513e-33], [7.149041432492293e-33, 3.5199999599095957, -6.913848704614009e-20], [-6.866962505537365e-33, -6.913848704612549e-20, 3.5199999599095957]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.05010982e-14 -1.05010982e-14 -1.05010982e-14 5.37941774e-31 -5.18124244e-36 1.90393952e-52] energy per atom = -4.450000000000034 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0