The folder contains the results of Kr and Xe MD calculations. It contains -xyz coordinate files in subfolders for 1 atom, 3 atom and 7 atom clusters. There are two coordinate files per ion, separate files for the temperature ramp from 0K to 300K (called anneal-coord-out.xyz) and for the actual 1ns run at 300K (at300K-coord-out.xyz).
Author of the digital object
Harriet Åhlgren (University of Vienna, Faculty of Physics, Physics of Nanostructured Materials, Boltzmanngasse 5, Vienna, Austria)