# Long-range order Silicon with larger ~18 Å grains. The pair correlation function retains sharper peaks out to longer distances than the MRO case, approaching the nanocrystalline regime. ## Parameters ```python from ase.build import bulk import tricor as tc atoms = bulk("Si", "diamond", a=5.431) shell_target = tc.CoordinationShellTarget.from_atoms(atoms, phi_num_bins=90) cell = tc.Supercell.from_atoms( atoms, cell_dim_angstroms=(40, 40, 40), r_max=10, r_step=0.1, phi_num_bins=90, rng_seed=42, ) cell.generate( shell_target, num_steps=200, grain_size=15.0, bond_weight=2.4, angle_weight=1.0, repulsion_weight=2.3, hard_core_scale=0.93, nonbond_push_scale=0.85, displacement_sigma=0.035, ) ``` ## Relaxation trajectory Interactive 3D viewer of the shell-relaxation trajectory (40 × 40 × 40 Å cell). Drag to rotate, scroll to zoom. Controls below the canvas play, scrub, and change playback speed. ## g3 distribution Measured from the **final (post-relaxation) atoms**. The heatmap is the reduced three-body density in units of the uniform random reference, where white = 1.0, blue = depleted, red = enhanced. The lower panel shows the pair profile g(r); the shaded amber band marks the first-neighbour shell used as the root-bond integration window for the g3 slice. For silicon there is a single Si-Si-Si triplet channel.