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_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_002 ==== 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 15:47:08 -6.483084 0.044368 BFGS: 1 15:47:08 -6.483162 0.036959 BFGS: 2 15:47:08 -6.483335 0.000385 BFGS: 3 15:47:08 -6.483336 0.000003 BFGS: 4 15:47:08 -6.483336 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.713434866375985e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.226916660567202, 1.3144398677010134e-33, -1.2566342799346575e-34], [1.7516660662619696e-33, 3.226916660567202, -5.120798443101501e-22], [-9.827397008117881e-34, -5.120798443087181e-22, 3.226916660567202]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 1.71343487e-11 1.71343487e-11 1.71343487e-11 -1.98521761e-27 -1.23303024e-35 3.29983600e-52] energy per atom = -3.241667758952606 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0