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_SturgeonLaird_2000_Al__MO_120808805541_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 13:54:08 -6.708030 0.1565 BFGS: 1 13:54:08 -6.709006 0.1346 BFGS: 2 13:54:08 -6.711687 0.0064 BFGS: 3 13:54:08 -6.711693 0.0002 BFGS: 4 13:54:08 -6.711693 0.0000 BFGS: 5 13:54:08 -6.711693 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.6336754602155144e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.208122989154154, 8.204630875064093e-33, -4.422586371240029e-33], [1.1526276575229709e-32, 3.208122989154154, 5.053712309552592e-20], [4.993173251520684e-33, 5.05371230955184e-20, 3.208122989154154]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.63367546e-11 -1.63367546e-11 -1.63367546e-11 -3.53660553e-29 3.74255734e-35 -7.82893237e-53] energy per atom = -3.3558464040555283 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0