element(s): ['Sn'] 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: ['3.8036'] model name: MEAM_LAMMPS_VellaChenStillinger_2017_Sn__MO_316045643888_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Sn'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.8036, 0, 0], [0, 3.8036, 0], [0, 0, 3.8036]] ========================================= Step Time Energy fmax BFGS: 0 16:23:29 -6.149237 0.120028 BFGS: 1 16:23:29 -6.149773 0.088191 BFGS: 2 16:23:29 -6.150392 0.001785 BFGS: 3 16:23:29 -6.150392 0.000026 BFGS: 4 16:23:29 -6.150392 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.689275574693085e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Sn', 'Sn'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.7914823914738967, -1.0821263449388945e-33, -4.012844110945506e-33], [4.536932738640146e-37, 3.791482391473896, -4.5075789278380175e-20], [6.374478753247627e-33, -4.507578927844342e-20, 3.7914823914738967]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 2.68927557e-10 2.68927557e-10 2.68927557e-10 4.74853000e-26 -1.07179663e-34 -1.14343921e-50] energy per atom = -3.0751959718689874 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0