element(s): ['Al'] 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: ['3.233'] model name: MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 3.233]] ========================================= Step Time Energy fmax BFGS: 0 11:18:57 -6.390509 0.201376 BFGS: 1 11:18:58 -6.392108 0.169014 BFGS: 2 11:18:58 -6.395795 0.007513 BFGS: 3 11:18:58 -6.395802 0.000262 BFGS: 4 11:18:58 -6.395802 0.000000 BFGS: 5 11:18:58 -6.395802 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.207489921082856e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.2050620663756377, 3.106318664449233e-34, -4.305731141803663e-34], [-8.702662703210668e-36, 3.2050620663756377, 1.1832435119902882e-19], [1.1788739009011537e-33, 1.1832435119902564e-19, 3.2050620663756377]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.20748992e-12 -1.20748992e-12 -1.20748992e-12 -3.40348899e-28 1.87485462e-34 2.16371777e-50] energy per atom = -3.1979011078214956 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0