dataset for for paper: "Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions"

manifold-s0.3.xyz is the main manifold discussed in the paper and can be visualized by v_sim using the config file provided. It can be seperated into structures using the script (script1.sh) provided.

train & validation sets are in Bohr but all manifold structures are in Angstroem.