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_WilsonMendelev_2016_Mg__MO_574574915905_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 17:59:39 -3.036835 0.0840 BFGS: 1 17:59:39 -3.037110 0.0689 BFGS: 2 17:59:39 -3.037675 0.0005 BFGS: 3 17:59:39 -3.037675 0.0000 BFGS: 4 17:59:39 -3.037675 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.060873745354088e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Mg', 'Mg'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.56142064870291, 9.293824322935315e-36, 1.0599026337015855e-34], [3.244575488473054e-33, 3.56142064870291, -1.6901629026347646e-20], [-2.7226728439260334e-34, -1.690162902634641e-20, 3.56142064870291]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 8.06087375e-13 8.06087375e-13 8.06087375e-13 2.55285058e-29 5.29544832e-63 -2.38381019e-62] energy per atom = -1.5188373177171344 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0