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 16:00:24 -3.029549 0.076657 BFGS: 1 16:00:24 -3.029779 0.063417 BFGS: 2 16:00:24 -3.030275 0.000503 BFGS: 3 16:00:24 -3.030275 0.000002 BFGS: 4 16:00:24 -3.030275 0.000000 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, -3.968935253781687e-33, -1.3608197312411135e-36], [-2.3069059853490312e-33, 3.562045526318172, 7.785867422187428e-23], [9.14056519345087e-36, 7.785867422178704e-23, 3.562045526318172]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 2.80948572e-12 2.80948572e-12 2.80948572e-12 1.78362592e-30 -3.23817468e-34 -2.37821249e-52] 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