Run a structure relaxation with a configurable ML interatomic potential and produce an MP4 animation showing the atomic trajectory from the initial to the relaxed geometry. Useful for visualizing how a structure evolves during optimization and for verifying convergence behavior.
Long-form calculated properties extracted from successful route actions that used each CIF as an input. Columns fileid / actionid / route_id are Ouro references.
The relax routes now accept a model parameter for Orb, MACE, or CHGNet.