element(s): ['N'] AFLOW prototype label: A_cP8_205_c Parameter names: ['a', 'x1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.8863', '0.054565089'] model name: MEAM_LAMMPS_DoShinLee_2009_GaInN__MO_815057898706_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['N'] representative atom coordinates = [[0.05456509 0.05456509 0.05456509]] spacegroup = 205 cell = [[5.8863, 0, 0], [0, 5.8863, 0], [0, 0, 5.8863]] ========================================= Step Time Energy fmax BFGS: 0 14:24:52 -22.554478 3.9265 BFGS: 1 14:24:52 -22.803474 6.7211 BFGS: 2 14:24:52 -23.833528 4.7334 BFGS: 3 14:24:52 -24.523735 4.4268 BFGS: 4 14:24:52 -25.143844 4.1962 BFGS: 5 14:24:52 -25.725112 4.0019 BFGS: 6 14:24:52 -26.277573 3.8455 BFGS: 7 14:24:52 -27.002227 7.7203 BFGS: 8 14:24:52 -29.733595 28.2309 BFGS: 9 14:24:52 -37.633131 7.7989 BFGS: 10 14:24:52 -38.497751 6.4704 BFGS: 11 14:24:52 -38.218216 29.3592 BFGS: 12 14:24:52 -38.920150 2.6123 BFGS: 13 14:24:52 -39.039713 0.1350 BFGS: 14 14:24:52 -39.039998 0.0105 BFGS: 15 14:24:52 -39.040000 0.0000 BFGS: 16 14:24:52 -39.040000 0.0000 BFGS: 17 14:24:52 -39.040000 0.0000 Minimization converged after 17 steps. Maximum force component: 4.144832625267251e-15 eV/Angstrom Maximum stress component: 4.2882397084630116e-17 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N'] basis = [[0.05071021 0.05071021 0.05071021] [0.44928979 0.94928979 0.55071021] [0.94928979 0.55071021 0.44928979] [0.55071021 0.44928979 0.94928979] [0.94928979 0.94928979 0.94928979] [0.55071021 0.05071021 0.44928979] [0.05071021 0.44928979 0.55071021] [0.44928979 0.55071021 0.05071021]] cellpar = Cell([[6.261907731797408, 8.347327119427597e-35, 0.0], [-3.1773798752659e-35, 6.261907731797408, 0.0], [0.0, 0.0, 6.261907731797408]]) forces = [[-4.14483263e-15 -4.14483263e-15 -4.14483263e-15] [ 4.14483263e-15 4.14483263e-15 -4.14483263e-15] [ 4.14483263e-15 -4.14483263e-15 4.14483263e-15] [-4.14483263e-15 4.14483263e-15 4.14483263e-15] [ 4.14483263e-15 4.14483263e-15 4.14483263e-15] [-4.14483263e-15 -4.14483263e-15 4.14483263e-15] [-4.14483263e-15 4.14483263e-15 -4.14483263e-15] [ 4.14483263e-15 -4.14483263e-15 -4.14483263e-15]] stress = [4.28823971e-17 4.28823971e-17 4.28823971e-17 0.00000000e+00 0.00000000e+00 2.51476333e-33] energy per atom = -4.879999999999997 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0