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_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_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 -6.509009 0.142143 BFGS: 1 15:47:08 -6.509800 0.117639 BFGS: 2 15:47:08 -6.511558 0.003517 BFGS: 3 15:47:08 -6.511559 0.000091 BFGS: 4 15:47:08 -6.511559 0.000000 BFGS: 5 15:47:08 -6.511559 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.73449418443641e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.252539932225546, 1.1893888119423423e-32, 2.8818103875092047e-33], [2.242549022247694e-32, 3.252539932225546, -9.363511163069795e-20], [2.7695402163922407e-33, -9.363511163071147e-20, 3.252539932225546]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-8.73449418e-14 -8.73449418e-14 -8.73449418e-14 -6.47815648e-30 4.85471728e-35 4.46060249e-51] energy per atom = -3.2557797104457733 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0