element(s): ['U'] 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: ['3.7679'] model name: MEAM_LAMMPS_FernandezPascuet_2014_U__MO_399431830125_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['U'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.7679, 0, 0], [0, 3.7679, 0], [0, 0, 3.7679]] ========================================= Step Time Energy fmax BFGS: 0 16:24:36 -10.143105 2.510059 BFGS: 1 16:24:36 -10.388943 2.050184 BFGS: 2 16:24:37 -10.642257 1.308617 BFGS: 3 16:24:37 -10.776391 0.465048 BFGS: 4 16:24:37 -10.794405 0.032855 BFGS: 5 16:24:37 -10.794493 0.000749 BFGS: 6 16:24:37 -10.794493 0.000002 BFGS: 7 16:24:37 -10.794493 0.000000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.072361871018996e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['U', 'U'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.463370646037725, -1.6478291964628707e-32, 1.1754387216112341e-32], [9.640301579536136e-33, 3.463370646037724, -2.0561851175356102e-17], [2.8119219922117315e-33, -2.0561851175356056e-17, 3.463370646037725]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-7.07236187e-12 -7.07236187e-12 -7.07236187e-12 2.34766755e-28 4.28165109e-35 -4.51993196e-52] energy per atom = -5.397246322626519 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0