element(s): ['Pt'] 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: ['3.949'] model name: MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Pt'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.949, 0, 0], [0, 3.949, 0], [0, 0, 3.949]] ========================================= Step Time Energy fmax BFGS: 0 21:31:50 -23.049506 0.621904 BFGS: 1 21:31:50 -23.063896 0.456997 BFGS: 2 21:31:51 -23.079933 0.030351 BFGS: 3 21:31:51 -23.080000 0.001345 BFGS: 4 21:31:51 -23.080000 0.000004 BFGS: 5 21:31:51 -23.080000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.988450179352771e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pt', 'Pt', 'Pt', 'Pt'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.00432383e-48 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.91737158598405, 2.106716144175714e-33, -3.3172297248717117e-32], [-3.0737322699185786e-33, 3.91737158598405, 2.394649428388987e-19], [-3.341725005956622e-32, 2.3946494283889946e-19, 3.91737158598405]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.98845018e-11 -2.98845018e-11 -2.98845018e-11 -1.74376896e-28 -6.69344464e-35 -2.05504085e-52] energy per atom = -5.770000000538932 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0