Please cite the paper entitled 'High-throughput calculation of interlayer van der Waals force validated with experimental measurements' if you are to use any data or code in this archive. Structure of files: . ├── output │ ├── per-atom │ │ ├── optB88-vdW │ │ └── vdW-DF2 │ └── per-unit-area │ ├── optB88-vdW │ └── vdW-DF2 ├── output_plot │ ├── optB88-vdW │ └── vdW-DF2 ├── structures ├── experimental_results ├── area_optB88-vdW.csv ├── area_vdW-DF2.csv ├── optB88-vdW_per-atom.csv ├── optB88-vdW_per-unit-area.csv ├── vdW-DF2_per-atom.csv ├── vdW-DF2_per-unit-area.csv ├── excluding_list-optB88-vdW.txt ├── excluding_list-vdW-DF2.txt ├── descender.py └── readme.txt Directory 'output' contains the data generated by the steps taken in the descent algorithm. The algorithm outputs per-atom E_b and F_b, where the heading of each output file is: "distance, binding energy, binding force". Directory 'output_plot' contains the plot of the steps taken in the descent algorithm for each system. The 'per-unit-area' data are converted from it with the area given in 'area_optB88-vdW.csv' and 'area_vdW-DF2.csv' which is read from the optimized structures. Directory 'structures' contains the initial POSCAR of the 2D materials calculated in this work, which is directly converted from Mounet's 2D database. Directory 'experimental_results' contains the adhesion forces measured in AFM. The unit of the data is N. The data of converged results for provided in 'optB88-vdW_per-atom.csv', 'optB88-vdW_per-unit-area.csv', 'vdW-DF2_per-atom.csv' and 'vdW-DF2_per-unit-area.csv' (The per-unit-area data are converted from per-atom data). A few calculated energy or force profiles are not very `single-valleyed`, which infers the unstableness of the VASP runs. Hence these results are excluded from statistics. The excluding list can be found in 'excluding_list-optB88-vdW.txt' and 'excluding_list-vdW-DF2.txt' 'descender.py' is the core of the descent algorithm implementation. Other code that calls this to perform the actual calculations are not included.