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_ZhouWadleyJohnson_2001_Al__MO_049243498555_000 ==== 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 11:11:16 -14.299233 0.331699 BFGS: 1 11:11:16 -14.303676 0.293399 BFGS: 2 11:11:16 -14.319978 0.009084 BFGS: 3 11:11:16 -14.319995 0.000340 BFGS: 4 11:11:17 -14.319995 0.000001 BFGS: 5 11:11:17 -14.319995 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.7172977185216784e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[4.081654900780748, 4.029514033775038e-33, -9.305670673697113e-35], [5.5834749002411654e-33, 4.081654900780748, 8.162451532989554e-18], [9.42651931644924e-35, 8.162451532989555e-18, 4.081654900780748]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.71729772e-12 -1.71729772e-12 -1.71729772e-12 -6.42375091e-32 -3.08273826e-35 -6.26855777e-53] energy per atom = -3.5799986599290645 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0