element(s): ['Al', 'N'] AFLOW prototype label: AB_hP4_194_c_d Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.3127', '1.2631992'] model name: MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'N'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ] [0.33333333 0.66666667 0.75 ]] spacegroup = 194 cell = [[3.3127, 0, 0], [-1.65635, 2.8688823551167, 0], [0, 0, 4.1846]] ========================================= Step Time Energy fmax BFGS: 0 15:50:36 -22.869571 0.9093 BFGS: 1 15:50:36 -22.882794 0.8624 BFGS: 2 15:50:36 -22.926395 0.6419 BFGS: 3 15:50:36 -22.956123 0.3509 BFGS: 4 15:50:36 -22.968677 0.1027 BFGS: 5 15:50:36 -22.969134 0.0833 BFGS: 6 15:50:36 -22.969525 0.0600 BFGS: 7 15:50:36 -22.969901 0.0286 BFGS: 8 15:50:36 -22.969943 0.0063 BFGS: 9 15:50:36 -22.969946 0.0005 BFGS: 10 15:50:36 -22.969946 0.0000 BFGS: 11 15:50:36 -22.969946 0.0000 BFGS: 12 15:50:36 -22.969946 0.0000 BFGS: 13 15:50:36 -22.969946 0.0000 Minimization converged after 13 steps. Maximum force component: 1.3179354387946686e-31 eV/Angstrom Maximum stress component: 1.8251710076507043e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'N', 'N'] basis = [[0.33333333 0.66666667 0.25 ] [0.66666666 0.33333334 0.75 ] [0.33333333 0.66666667 0.75 ] [0.66666666 0.33333334 0.25 ]] cellpar = Cell([[3.3611687839184117, 7.320380621149992e-18, -1.8672217392178206e-37], [-1.6805843919592058, 2.9108575532805934, -5.787962826321424e-37], [7.613018130182115e-37, -1.2645983052197305e-36, 4.00963596012028]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-2.50233849e-68 4.15663402e-68 -1.31793544e-31] [ 2.50233849e-68 -4.15663402e-68 1.31793544e-31]] stress = [-1.82517101e-11 -1.82517101e-11 1.38660178e-11 -1.40809935e-33 -4.29369387e-48 3.66108431e-28] energy per atom = -5.74248648245375 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0