sp²-leaning mixed¶
60% graphite grains, 40% diamond grains. Graphite still slightly dominates but the diamond patches are large enough that tet regions are visible throughout the cell.
Parameters¶
cell.generate(
shell_target,
num_steps=150,
grain_size=14.0,
grain_sources=[
{"atoms": atoms_graphite, "species_offset": 0, "weight": 0.60},
{"atoms": atoms_diamond, "species_offset": 1, "weight": 0.40},
],
bond_weight=2.5, angle_weight=1.2, repulsion_weight=2.0,
hard_core_scale=0.92, nonbond_push_scale=0.85,
displacement_sigma=0.02,
)