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_001 ==== 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 15:17:21 -22.554478 3.926511 BFGS: 1 15:17:21 -22.803474 6.721051 BFGS: 2 15:17:21 -23.833528 4.733432 BFGS: 3 15:17:21 -24.523735 4.426842 BFGS: 4 15:17:21 -25.143844 4.196232 BFGS: 5 15:17:21 -25.725112 4.001910 BFGS: 6 15:17:21 -26.277573 3.845465 BFGS: 7 15:17:21 -27.002227 7.720264 BFGS: 8 15:17:21 -29.733595 28.230933 BFGS: 9 15:17:21 -37.633131 7.798948 BFGS: 10 15:17:21 -38.497751 6.470428 BFGS: 11 15:17:21 -38.218216 29.359191 BFGS: 12 15:17:21 -38.920150 2.612340 BFGS: 13 15:17:21 -39.039713 0.135008 BFGS: 14 15:17:21 -39.039998 0.010481 BFGS: 15 15:17:21 -39.040000 0.000038 BFGS: 16 15:17:21 -39.040000 0.000000 BFGS: 17 15:17:21 -39.040000 0.000000 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