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_MishinFarkasMehl_1999_Al__MO_651801486679_005 ==== 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 -6.509036 0.0104 BFGS: 1 09:37:14 -6.509041 0.0093 BFGS: 2 09:37:14 -6.509059 0.0000 BFGS: 3 09:37:14 -6.509059 0.0000 BFGS: 4 09:37:14 -6.509059 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.4379638737596413e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.2353655607079426, -6.025588052295714e-37, -5.479653818066267e-35], [-7.997593526967634e-35, 3.2353655607079426, 4.5245353005822265e-23], [7.991923286156091e-35, 4.5245353005861944e-23, 3.2353655607079426]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.43796387e-14 -1.43796387e-14 -1.43796387e-14 1.07304481e-30 -3.17429180e-65 -3.28276862e-65] energy per atom = -3.2545294765832202 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0