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=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.410651050508022 cohesive_energy=17.28153736445077 mass=58.6934 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=[4.49561150440596e-19, 6.71733382100742e-19, 8.683348746822479e-19, 1.0482529019739118e-18, 1.215409592375766e-18, 1.371788440560702e-18, 1.5191918952419698e-18, 1.6579003373305198e-18, 1.78822138474008e-18, 1.91069176664304e-18, 2.0252153524413598e-18, 2.13179214213504e-18, 2.23050224455578e-18, 2.3214417903016197e-18, 2.40432238757844e-18, 2.47903188402186e-18, 2.54549017080018e-18, 2.6037453132124198e-18, 2.6534288106327597e-18, 2.6943804453978e-18, 2.7264399998441396e-18, 2.74955940867276e-18, 2.7638027589490196e-18, 2.76859326708468e-18, 2.7631779100617602e-18, 2.7450893358639e-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 ========================================