element(s): ['In', 'N'] AFLOW prototype label: AB_cF8_216_a_c Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.0358'] model name: MEAM_LAMMPS_DoShinLee_2009_GaInN__MO_815057898706_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['In', 'N'] representative atom coordinates = [[0. 0. 0. ] [0.25 0.25 0.25]] spacegroup = 216 cell = [[5.0358, 0, 0], [0, 5.0358, 0], [0, 0, 5.0358]] ========================================= Step Time Energy fmax BFGS: 0 19:11:00 -28.141976 0.716187 BFGS: 1 19:11:00 -28.162791 0.639837 BFGS: 2 19:11:00 -28.229526 0.243401 BFGS: 3 19:11:00 -28.239932 0.020046 BFGS: 4 19:11:00 -28.240000 0.000556 BFGS: 5 19:11:00 -28.240000 0.000001 BFGS: 6 19:11:00 -28.240000 0.000000 Minimization converged after 6 steps. Maximum force component: 1.278815561464497e-31 eV/Angstrom Maximum stress component: 4.7024642884408745e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['In', 'In', 'In', 'In', 'N', 'N', 'N', 'N'] basis = [[0. 0. 0. ] [0. 0.5 0.5 ] [0.5 0. 0.5 ] [0.5 0.5 0. ] [0.25 0.25 0.25] [0.75 0.75 0.25] [0.75 0.25 0.75] [0.25 0.75 0.75]] cellpar = Cell([[4.97999251682817, 6.188645584630686e-34, 1.4518245803955612e-34], [7.223348107979272e-34, 4.97999251682817, -5.897404810762539e-20], [5.14724710296284e-35, -5.89740481076253e-20, 4.97999251682817]]) forces = [[ 2.55763112e-33 2.55763112e-33 2.55763112e-33] [ 1.02305245e-32 1.02305245e-32 1.02305245e-32] [ 1.27881556e-32 1.27881556e-32 1.02305245e-32] [ 1.27881556e-32 1.27881556e-32 2.55763112e-33] [ 4.60373602e-32 1.27881556e-31 -8.69594582e-32] [-2.81339424e-32 -1.04862876e-31 -6.64984092e-32] [ 5.62678847e-32 1.12535769e-31 9.20747204e-32] [-1.17651032e-31 -9.20747204e-32 5.11526225e-32]] stress = [-4.70246429e-12 -4.70246429e-12 -4.70246429e-12 1.50759681e-29 -2.24456142e-62 1.62341276e-63] energy per atom = -3.5300000001319622 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0