element(s): ['Be'] 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: ['2.512'] model name: MEAM_LAMMPS_WeiZhouLi_2019_BeO__MO_344044439515_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Be'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.512, 0, 0], [0, 2.512, 0], [0, 0, 2.512]] ========================================= Step Time Energy fmax BFGS: 0 15:49:07 -6.611923 0.166970 BFGS: 1 15:49:07 -6.613038 0.144812 BFGS: 2 15:49:07 -6.616506 0.004863 BFGS: 3 15:49:07 -6.616510 0.000149 BFGS: 4 15:49:07 -6.616510 0.000000 BFGS: 5 15:49:07 -6.616510 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.615705932232898e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Be', 'Be'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.5352772444202727, -2.4567597325754905e-33, 1.7803890918408914e-33], [-2.4682328834082517e-33, 2.5352772444202727, 3.466889963940499e-20], [-3.52707079123269e-33, 3.4668899639455973e-20, 2.5352772444202727]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-6.61570593e-13 -6.61570593e-13 -6.61570593e-13 -1.17599815e-30 -4.79412719e-34 9.25893466e-51] energy per atom = -3.308254828376273 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0