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_LiuAdams_1998_AlMg__MO_019873715786_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 09:37:14 -6.499090 0.4007 BFGS: 1 09:37:14 -6.505961 0.3985 BFGS: 2 09:37:14 -6.550346 0.1025 BFGS: 3 09:37:14 -6.549439 0.1536 BFGS: 4 09:37:14 -6.551559 0.0117 BFGS: 5 09:37:14 -6.551573 0.0012 BFGS: 6 09:37:14 -6.551573 0.0000 BFGS: 7 09:37:14 -6.551573 0.0000 BFGS: 8 09:37:14 -6.551573 0.0000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.1477988669382396e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.130398171988906, -2.0668319983435684e-32, -7.475666619817688e-33], [-9.078184166415402e-33, 3.130398171988906, -5.8083819048712035e-18], [3.0072260761389562e-33, -5.8083819048712035e-18, 3.130398171988906]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 6.14779887e-15 6.14779887e-15 6.14779887e-15 4.98461691e-31 -1.04819009e-34 -5.47695055e-51] energy per atom = -3.2757865384947102 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0