Liquid

SiO₂ in the liquid regime: random Si and O positions at the correct density and 2:1 O:Si ratio, followed by a short shell relaxation to enforce the hard-core exclusion. Essentially no intact SiO₄ tetrahedra survive.

Parameters

See Silicon dioxide for the α-quartz reference and supercell construction. Then:

cell.generate(
    shell_target,
    num_steps=120,
    grain_size=None,
    bond_weight=0.5,
    angle_weight=0.0,
    repulsion_weight=1.5,
    hard_core_scale=1.05,
    nonbond_push_scale=0.6,
    displacement_sigma=0.01,
)

Liquid keeps angle_weight=0 so the random starting positions aren’t pulled into tetrahedral geometry by the angle spring.

Relaxation trajectory

g3 distribution