element(s): ['Al', 'N'] AFLOW prototype label: AB_cF8_225_a_b Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.0676'] model name: MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'N'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5]] spacegroup = 225 cell = [[4.0676, 0, 0], [0, 4.0676, 0], [0, 0, 4.0676]] ========================================= Step Time Energy fmax BFGS: 0 20:15:55 -45.515479 0.264670 BFGS: 1 20:15:56 -45.518355 0.242421 BFGS: 2 20:15:56 -45.533685 0.008167 BFGS: 3 20:15:56 -45.533703 0.000285 BFGS: 4 20:15:56 -45.533703 0.000000 BFGS: 5 20:15:56 -45.533703 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.1339535165827375e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al', 'N', 'N', 'N', 'N'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 0.00000000e+00] [2.78942511e-74 0.00000000e+00 5.00000000e-01]] cellpar = Cell([[4.091225241462384, 4.0092368254971396e-33, 8.347833554547077e-34], [6.355078549095257e-34, 4.091225241462384, -1.0615777943841693e-23], [1.5837119387611166e-34, -1.0615777942962943e-23, 4.091225241462384]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.13395352e-12 -2.13395352e-12 -2.13395352e-12 -3.60688919e-29 -2.45466610e-34 4.75176563e-51] energy per atom = -5.691712840846322 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0