element(s): ['Mg'] 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: ['3.5733'] model name: EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Mg'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.5733, 0, 0], [0, 3.5733, 0], [0, 0, 3.5733]] ========================================= Step Time Energy fmax BFGS: 0 17:59:41 -3.029549 0.0767 BFGS: 1 17:59:41 -3.029779 0.0634 BFGS: 2 17:59:41 -3.030275 0.0005 BFGS: 3 17:59:41 -3.030275 0.0000 BFGS: 4 17:59:41 -3.030275 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.8094857197873747e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Mg', 'Mg'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.562045526318172, -2.6855930227872056e-42, 1.0152147239536662e-32], [-1.0828528522013836e-39, 3.562045526318172, 1.5577228086756692e-22], [7.607708692662183e-33, 1.557722808652612e-22, 3.562045526318172]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 2.80948572e-12 2.80948572e-12 2.80948572e-12 -6.23831338e-28 -3.23817468e-34 7.19019300e-50] energy per atom = -1.5151375305755794 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0