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 16:14:32 -10.143105 2.510059 BFGS: 1 16:14:32 -10.388943 2.050184 BFGS: 2 16:14:32 -10.642257 1.308617 BFGS: 3 16:14:33 -10.776391 0.465048 BFGS: 4 16:14:33 -10.794405 0.032855 BFGS: 5 16:14:33 -10.794493 0.000749 BFGS: 6 16:14:33 -10.794493 0.000002 BFGS: 7 16:14:33 -10.794493 0.000000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.0718963596408204e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['U', 'U'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.4633706460377187, -2.150068640074477e-32, -1.1923523050234982e-32], [3.208829199755003e-33, 3.4633706460377187, -2.0909925929202282e-17], [7.989157986910738e-33, -2.0909925929202297e-17, 3.4633706460377187]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-7.07189636e-12 -7.07189636e-12 -7.07189636e-12 -1.93680074e-28 8.69157686e-60 5.04909072e-61] 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