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_MishinFarkasMehl_1999_Ni__MO_400591584784_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 15:22:30 -17.795817 0.161780 BFGS: 1 15:22:30 -17.796862 0.139860 BFGS: 2 15:22:30 -17.799999 0.002654 BFGS: 3 15:22:30 -17.800000 0.000038 BFGS: 4 15:22:30 -17.800000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.583530828215962e-10 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 1.30448169e-41]] cellpar = Cell([[3.5199994367535474, -7.411228039169316e-36, -1.4616238219230928e-36], [-1.3390660972355103e-35, 3.5199994367535474, 6.434360341132666e-25], [-3.5976929404951605e-35, 6.434360341497414e-25, 3.5199994367535474]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-7.58353083e-10 -7.58353083e-10 -7.58353083e-10 2.15501344e-25 2.07249759e-35 -1.45612832e-51] energy per atom = -4.449999998317923 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0