element(s): ['Al'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.039'] model name: MEAM_LAMMPS_LeeShimBaskes_2003_Al__MO_353977746962_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]] ========================================= Step Time Energy fmax BFGS: 0 15:11:42 -13.439711 0.034565 BFGS: 1 15:11:42 -13.439760 0.031494 BFGS: 2 15:11:42 -13.440000 0.000233 BFGS: 3 15:11:42 -13.440000 0.000002 BFGS: 4 15:11:42 -13.440000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.963739767662968e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[4.04465077661627, 6.351031977158255e-35, 7.954821292666376e-35], [-3.176773524832866e-35, 4.04465077661627, -1.3100183465134562e-24], [4.834016269612518e-35, -1.3100183463864124e-24, 4.04465077661627]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-4.96373977e-12 -4.96373977e-12 -4.96373977e-12 3.61821971e-27 7.84850912e-36 -3.89868717e-51] energy per atom = -3.3600000000601176 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0