Model name: model_name=LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Pd Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.8232301473617563 cohesive_energy=11.414095633633497 mass=106.42 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.96924986872684e-19, 4.43665140427476e-19, 5.73516750083274e-19, 6.92346986673786e-19, 8.027513763460919e-19, 9.060356930569019e-19, 1.0033919562219118e-18, 1.095009222683934e-18, 1.1810765492857798e-18, 1.2619672431831718e-18, 1.337606002074312e-18, 1.407999234665736e-18, 1.473201414963e-18, 1.533260608265124e-18, 1.5879973707890999e-18, 1.6373444111162998e-18, 1.6812440508878998e-18, 1.7197123118702398e-18, 1.75252488933456e-18, 1.7795856526828198e-18, 1.8007504060179598e-18, 1.81601914933998e-18, 1.8254239261815598e-18, 1.82859623591688e-18, 1.8250233820230598e-18, 1.81307114433342e-18, 1.79054454085938e-18, 1.7546397624914396e-18, 1.70178395533578e-18, 1.62739489421916e-18, 1.525574966951826e-18, 1.38883880429973e-18, 1.206780269025042e-18, 9.659234534591879e-19, 6.48234257409864e-19, 2.2909523689566e-19, -3.25205006639418e-19] 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 ========================================