# GMTKN55, subset CDIE20
# Geometries, charges and spins extraced from GMTKN archive
"P20": P20.xyz
"P22": P22.xyz
"P25": P25.xyz
"P26": P26.xyz
"P40": P40.xyz
"P43": P43.xyz
"P44": P44.xyz
"P45": P45.xyz
"P46": P46.xyz
"P47": P47.xyz
"P48": P48.xyz
"P49": P49.xyz
"P51": P51.xyz
"P52": P52.xyz
"P56": P56.xyz
"P60": P60.xyz
"R20": R20.xyz
"R21": R21.xyz
"R22": R22.xyz
"R25": R25.xyz
"R26": R26.xyz
"R28": R28.xyz
"R29": R29.xyz
"R40": R40.xyz
"R43": R43.xyz
"R44": R44.xyz
"R45": R45.xyz
"R46": R46.xyz
"R47": R47.xyz
"R48": R48.xyz
"R49": R49.xyz
"R51": R51.xyz
"R52": R52.xyz
"R56": R56.xyz
"R57": R57.xyz
"R60": R60.xyz