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_LeeLee_2010_FeAl__MO_332211522050_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 22:04:25 -6.483084 0.044368 BFGS: 1 22:04:25 -6.483162 0.036959 BFGS: 2 22:04:25 -6.483336 0.000385 BFGS: 3 22:04:25 -6.483336 0.000003 BFGS: 4 22:04:25 -6.483336 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.7110834654388482e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.226916653349976, -1.0086501993383574e-32, -3.2707094964941566e-33], [-9.514532226552091e-33, 3.226916653349976, -1.700907906159853e-22], [3.538107436880074e-33, -1.7009079061796572e-22, 3.226916653349976]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 1.71108347e-11 1.71108347e-11 1.71108347e-11 -7.16941197e-29 3.32377844e-60 1.02345298e-59] energy per atom = -3.2416677681937136 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0