https://archive.materialscloud.org/records/67p3q-dch39
AENET-LAMMPS and AENET-TINKER: interfaces for accurate and efficient molecular dynamics simulations...
This data set contains atomic structures of liquid water and amorphous Li(x)Si in the XCrySDen structure format (XSF) [1]. Total energies are included as...
molecular dynamicslammpstinkerinterfaces