MD trajectory of magnetite/water interface

The repository contains data for the article : "Decoding the structure of water at the magnetite surface". trj_large.dump is a trajectory of magnetite-water interface with a water column of height 160Å and time duration of 14 ns. The time step was 0.5fs and the trajectory has been every 1000 step recorded. The training set, the architecture, and the weights of the NNPs of the committee used to obtained the trajectories are available in another repository (https://zenodo.org/records/13810783)