This is the README file for the MaterialCloud Archive files uploaded

Files contain:

- tib-four.tar.gz: AiiDA exported data, which contain the calculation details of the paper, it contains the exported nodes of the group 'tib-four'. The group contains 150 calculation workflows of 150 unique type III configurations.

- tib-tri.tar.gz: AiiDA exported data, which contain the calculation details of the paper, it contains the exported nodes of the group 'tib-tri'. The group contains 98 calculation workflows of 98 unique type II configurations.

- tib-bi.tar.gz: AiiDA exported data, which contain the calculation details of the paper, it contains the exported nodes of the group 'tib-bi'. The group contains 150 calculation workflows of 210 unique type I configurations.

The files can be imported directly into aiida for further exporation.