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_AlU__MO_596300673917_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 15:47:08 -6.395104 0.220975 BFGS: 1 15:47:08 -6.397045 0.189182 BFGS: 2 15:47:08 -6.402632 0.012594 BFGS: 3 15:47:08 -6.402659 0.000783 BFGS: 4 15:47:08 -6.402659 0.000004 BFGS: 5 15:47:08 -6.402659 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.7799447694902097e-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, 3.131002051548309e-34, 4.606184053622427e-33], [-4.4121202880458256e-36, 3.270777979095298, 4.470710093978957e-19], [7.152740696477579e-33, 4.470710093978979e-19, 3.270777979095298]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.77994477e-11 -5.77994477e-11 -5.77994477e-11 -3.82733098e-26 -1.50022746e-36 -3.30178547e-52] 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