element(s): ['Ta'] 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: ['3.3551'] model name: MEAM_LAMMPS_GaoOteroAouadi_2013_AgTaO__MO_112077942578_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ta'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.3551, 0, 0], [0, 3.3551, 0], [0, 0, 3.3551]] ========================================= Step Time Energy fmax BFGS: 0 16:11:04 -16.134177 0.958462 BFGS: 1 16:11:04 -16.165348 0.554458 BFGS: 2 16:11:05 -16.179898 0.047729 BFGS: 3 16:11:05 -16.180000 0.002094 BFGS: 4 16:11:05 -16.180000 0.000007 BFGS: 5 16:11:05 -16.180000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.314301891106728e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ta', 'Ta'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.303000005973743, 9.630629846458363e-36, 5.777246580257819e-33], [-9.630819508458245e-36, 3.303000005973743, 8.277358581361006e-23], [4.308122520408786e-33, 8.277358581236723e-23, 3.303000005973743]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-6.31430189e-11 -6.31430189e-11 -6.31430189e-11 -2.80411338e-26 -3.76601509e-34 -1.25433502e-49] energy per atom = -8.090000000626643 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0