Liquid

A 40 Å cubic strontium titanate supercell (~5130 atoms), melt (thermostatted spring-network sampling).

FIRE relaxation

stage	bond mean (Å)	bond σ (Å)
Voronoi	2.021	0.252
after orient	2.021	0.252
after cleanup	1.960	0.230
after FIRE	1.990	0.200

MACE-MP0 single point of the final structure: -6.968 eV/atom.

g₃ distribution — after FIRE

Bond length and angle distributions