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_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_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 09:39:17 -6.509009 0.1421 BFGS: 1 09:39:17 -6.509800 0.1176 BFGS: 2 09:39:17 -6.511558 0.0035 BFGS: 3 09:39:17 -6.511559 0.0001 BFGS: 4 09:39:17 -6.511559 0.0000 BFGS: 5 09:39:17 -6.511559 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.71577666455747e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.2525399322255466, -1.0737798611749233e-32, -3.0148550086463213e-33], [-6.317159620423326e-33, 3.2525399322255466, -9.167071474641447e-20], [-1.8957126217945336e-33, -9.167071474641131e-20, 3.2525399322255466]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-8.71577666e-14 -8.71577666e-14 -8.71577666e-14 1.02126798e-29 -9.70943456e-35 1.09609510e-51] energy per atom = -3.2557797104457724 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0