Model name: model_name=LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Au Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.7407050430774693 cohesive_energy=19.19708732848207 mass=196.9665 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[4.99387241581362e-19, 7.461833259294539e-19, 9.645760229099939e-19, 1.164434740588422e-18, 1.3501190015858521e-18, 1.5238301965973998e-18, 1.6875726485921999e-18, 1.84165397548398e-18, 1.98641063436588e-18, 2.12246747412516e-18, 2.2496802988647597e-18, 2.36806513035102e-18, 2.47773412094832e-18, 2.5787353359556795e-18, 2.6707964053453198e-18, 2.7538051767528595e-18, 2.82763347604758e-18, 2.8923293685284996e-18, 2.9475243535697994e-18, 2.9930261699754e-18, 3.02864255654922e-18, 3.05432544799224e-18, 3.0701389313698194e-18, 3.0754741795610395e-18, 3.06946601718354e-18, 3.0493747221931794e-18, 3.0114832447990795e-18, 2.95109720746362e-18, 2.86219242604296e-18, 2.7370944744602398e-18, 2.56585383581832e-18, 2.3358774017739596e-18, 2.0296854252502198e-18, 1.6245910851096601e-18] Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ========================================