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_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000 ==== 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 16:46:25 -7.055830 0.488815 BFGS: 1 16:46:25 -7.065438 0.427736 BFGS: 2 16:46:25 -7.091394 0.098204 BFGS: 3 16:46:25 -7.092591 0.010199 BFGS: 4 16:46:25 -7.092605 0.000156 BFGS: 5 16:46:25 -7.092605 0.000000 BFGS: 6 16:46:25 -7.092605 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.9872662584396644e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.309988309647062, 2.101639173889585e-32, -1.7842637734787856e-32], [9.107016936182348e-33, 3.309988309647062, 4.406437383860962e-18], [1.71499492659945e-33, 4.4064373838609525e-18, 3.309988309647062]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.98726626e-13 -3.98726626e-13 -3.98726626e-13 1.17954899e-29 -4.68766209e-35 7.17166034e-51] energy per atom = -3.546302290387267 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0