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_MendelevAstaRahman_2009_AlMg__MO_658278549784_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 16:09:39 -13.642278 0.037787 BFGS: 1 16:09:39 -13.642336 0.034457 BFGS: 2 16:09:39 -13.642628 0.000506 BFGS: 3 16:09:39 -13.642628 0.000007 BFGS: 4 16:09:39 -13.642628 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.924630995656508e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [2.53713975e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.045270459242767, -2.5421577195632208e-33, -4.374866148477317e-34], [-3.125013581368075e-33, 4.045270459242767, -1.2542893263936966e-18], [5.322962726413736e-33, -1.2542893263937009e-18, 4.045270459242767]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-7.92463100e-11 -7.92463100e-11 -7.92463100e-11 -5.90491037e-27 -1.56922094e-35 -3.41461610e-51] energy per atom = -3.4106569861254026 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0