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: EAM_Dynamo_ZopeMishin_2003_Al__MO_664470114311_005 ==== 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 10:07:20 -13.438903 0.067438 BFGS: 1 10:07:20 -13.439089 0.061402 BFGS: 2 10:07:20 -13.440000 0.000794 BFGS: 3 10:07:20 -13.440000 0.000009 BFGS: 4 10:07:20 -13.440000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.350974692626409e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 6.44474521e-55 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.049999967304992, 6.213142628392049e-38, -4.823652203926258e-37], [-6.207851692372047e-38, 4.049999967304992, 4.9659034298962084e-37], [6.046784022859338e-41, 6.097721824533647e-39, 4.049999967304992]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-8.35097469e-11 -8.35097469e-11 -8.35097469e-11 1.85425986e-26 3.13111615e-35 6.00444803e-55] energy per atom = -3.3539206083100295 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0