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_PascuetFernandez_2015_AlU__MO_596300673917_002 ==== 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 18:12:02 -10.143105 2.5101 BFGS: 1 18:12:02 -10.388943 2.0502 BFGS: 2 18:12:02 -10.642257 1.3086 BFGS: 3 18:12:02 -10.776391 0.4650 BFGS: 4 18:12:02 -10.794405 0.0329 BFGS: 5 18:12:02 -10.794493 0.0007 BFGS: 6 18:12:02 -10.794493 0.0000 BFGS: 7 18:12:02 -10.794493 0.0000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.071960498991114e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['U', 'U'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.4633706460377183, -2.3602443084324353e-32, -1.2021869836121112e-32], [-4.546544191583544e-33, 3.4633706460377183, -2.092869251212922e-17], [1.6725435326476072e-32, -2.0928692512129236e-17, 3.4633706460377183]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-7.07196050e-12 -7.07196050e-12 -7.07196050e-12 -4.21647975e-28 -1.60561916e-34 -2.89228922e-52] energy per atom = -5.397246322626518 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0