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 09:39:17 -6.395104 0.2210 BFGS: 1 09:39:17 -6.397045 0.1892 BFGS: 2 09:39:17 -6.402632 0.0126 BFGS: 3 09:39:17 -6.402659 0.0008 BFGS: 4 09:39:17 -6.402659 0.0000 BFGS: 5 09:39:17 -6.402659 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.779944769490216e-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, 9.0341860883425e-33, -2.7735289431456632e-33], [1.2557725271215318e-32, 3.270777979095298, 4.46883416042836e-19], [5.6306645277504186e-33, 4.468834160428332e-19, 3.270777979095298]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.77994477e-11 -5.77994477e-11 -5.77994477e-11 -4.67181871e-27 2.25034118e-35 3.63510580e-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