element(s): ['Al'] 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: ['4.039'] model name: EAM_Dynamo_MishinFarkasMehl_1999_Al__MO_651801486679_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]] ========================================= Step Time Energy fmax BFGS: 0 15:09:20 -13.438916 0.066203 BFGS: 1 15:09:20 -13.439096 0.060486 BFGS: 2 15:09:20 -13.440000 0.000331 BFGS: 3 15:09:20 -13.440000 0.000002 BFGS: 4 15:09:20 -13.440000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.915576187490873e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] 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 4.75537711e-35]] cellpar = Cell([[4.050004661786772, -1.4935319939441531e-32, -2.166680102280052e-33], [-1.280476908599059e-32, 4.050004661786772, 2.243818021514803e-18], [-2.9360394182736834e-34, 2.2438180215148015e-18, 4.050004661786772]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [4.91557619e-13 4.91557619e-13 4.91557619e-13 1.33982388e-29 0.00000000e+00 2.87578610e-61] energy per atom = -3.35999998828803 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0