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_LiuOhotnickyAdams_1997_AlMg__MO_559870613549_000 ==== 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 16:13:41 -2.984914 0.029645 BFGS: 1 16:13:41 -2.984950 0.026778 BFGS: 2 16:13:41 -2.985107 0.000252 BFGS: 3 16:13:41 -2.985107 0.000002 BFGS: 4 16:13:41 -2.985107 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.2217911133948906e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Mg', 'Mg'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.5655423238184554, 1.127435203837269e-32, 9.588135552165322e-35], [2.376739837543208e-33, 3.5655423238184554, -1.4635930511928592e-20], [-1.218569916324778e-33, -1.4635930511929137e-20, 3.5655423238184554]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 7.22179111e-12 7.22179111e-12 7.22179111e-12 -1.38237634e-28 -3.02983717e-35 3.22925522e-52] energy per atom = -1.4925537479737256 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0