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=Mo Lattice type: short_name=bcc Lattice constant (meters) and cohesive energy (J): a=3.390116661787033 cohesive_energy=35.62344262805812 mass=95.95 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=[9.2423161308924e-19, 1.383272842673214e-18, 1.7876606229181798e-18, 2.1579877301009396e-18, 2.50226344521486e-18, 2.825438494059e-18, 3.1294515103604997e-18, 3.4152477783334196e-18, 3.6837405386591395e-18, 3.93549055315956e-18, 4.1711066489556e-18, 4.39038054308484e-18, 4.59331223554728e-18, 4.7803343140341e-18, 4.951478822077979e-18, 5.1063772590530995e-18, 5.2442445584088e-18, 5.364808350117299e-18, 5.467732177085459e-18, 5.55272764751916e-18, 5.619474326091599e-18, 5.6678600604383995e-18, 5.69719591460694e-18, 5.70704930090604e-18, 5.69593019506608e-18, 5.65879174068996e-18, 5.588984904746579e-18, 5.477841911645999e-18, 5.31405139435218e-18, 5.08324182845814e-18, 4.76694011737386e-18, 4.34111361158934e-18, 3.7741994314147795e-18, 3.0241404402076797e-18, 2.0344438898531998e-18, 7.298891895616739e-19, -9.95449966647174e-19, -3.2889161507425196e-18, -6.358606472654819e-18, -1.0504558948456619e-17, -1.61698074609816e-17, -2.4022876232532598e-17, -3.5099364174028197e-17] 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 ========================================