The .xmol format is an XYZ file format which is used by VMD (Visual Molecular Dynamics).
This data is obtained by molecular dynamics simulations that are employed to study the wetting and evaporation of salt water nano droplets on platinum surfaces. The data also contains a second simulation system of a thin salt water film on a platinum surface, which is used to calculate the various surface tensions and verify the increase in the contact angle of salt water droplets with salt concentration.
Zhang, Jun; Borg, Matthew. (2015). Wetting and evaporation of salt-water nanodroplets: A molecular dynamics investigation, [dataset]. University of Edinburgh. http://dx.doi.org/10.7488/ds/362.