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_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 ==== 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 16:46:06 -7.382732 0.490849 BFGS: 1 16:46:06 -7.392146 0.404998 BFGS: 2 16:46:06 -7.413800 0.044993 BFGS: 3 16:46:06 -7.414115 0.005796 BFGS: 4 16:46:06 -7.414120 0.000038 BFGS: 5 16:46:06 -7.414120 0.000000 BFGS: 6 16:46:06 -7.414120 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.579968398587295e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.305472915039131, 7.658120383010657e-33, -3.5207255720519714e-33], [3.6338723848969914e-33, 3.305472915039131, 1.5657768220034187e-18], [-1.6647360870608763e-32, 1.5657768220034418e-18, 3.305472915039131]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-6.57996840e-14 -6.57996840e-14 -6.57996840e-14 -1.77215347e-30 -1.17511947e-34 -2.18219648e-50] energy per atom = -3.6110108465362925 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0