element(s): ['Al'] 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: ['3.233'] model name: MEAM_LAMMPS_PascuetFernandez_2015_Al__MO_315820974149_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 3.233]] ========================================= Step Time Energy fmax BFGS: 0 13:54:42 -6.395104 0.2210 BFGS: 1 13:54:42 -6.397045 0.1892 BFGS: 2 13:54:42 -6.402632 0.0126 BFGS: 3 13:54:42 -6.402659 0.0008 BFGS: 4 13:54:42 -6.402659 0.0000 BFGS: 5 13:54:42 -6.402659 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.779944814109175e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.270777979095298, 7.271231720617933e-33, -3.1423414479507713e-34], [1.7599617003045932e-32, 3.270777979095298, 4.838979678329701e-19], [-6.15422393094762e-34, 4.838979678329689e-19, 3.270777979095298]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.77994481e-11 -5.77994481e-11 -5.77994481e-11 2.48723742e-28 -1.50022746e-36 7.23665309e-54] energy per atom = -3.201329641074809 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0