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: EAM_CubicNaturalSpline_ErcolessiAdams_1994_Al__MO_800509458712_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 16:46:04 -6.569956 0.520580 BFGS: 1 16:46:04 -6.580777 0.448791 BFGS: 2 16:46:04 -6.614010 0.014054 BFGS: 3 16:46:04 -6.614029 0.005298 BFGS: 4 16:46:04 -6.614032 0.000040 BFGS: 5 16:46:04 -6.614032 0.000000 BFGS: 6 16:46:04 -6.614032 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.569070132774543e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.147477317771423, -2.9440577131226617e-34, 2.4139772991774373e-33], [5.768634551959328e-33, 3.147477317771423, -1.6708775983969543e-17], [4.0246847333499026e-33, -1.6708775983969552e-17, 3.147477317771423]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 1.56907013e-13 1.56907013e-13 1.56907013e-13 -2.13211972e-29 -2.37913597e-61 -7.08988304e-62] energy per atom = -3.3070158692852742 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0