Data for: Interlayer interaction, shear vibrational mode, and tribological properties of two-dimensional bilayers with a commensurate moiré pattern

Folder "data" contains raw data in XYZ format for PES contour plots shown in Figure 2 of the article. File "Contour plot.m" in each subfolder contains Mathematica code for reproduction (2,1), (3,1), (3,2), (5,1), and (5,3) PESs in Figure 2 of the article. See "Contour plot.pdf" for the results of the code execution.
Folder "dataSI" contains raw data in XYZ format for PES contour plots shown in Figure S1 of the Supplemental Material. File "Contour plot.m" in each subfolder contains Mathematica code for reproduction (7,2), (7,3) and (7,5) PESs in Figure S1. See "Contour plot.pdf" for the results of the code execution.
Coordinates in files "X.txt" and "Y.txt" are given in angstroms and energies in files "Z.txt" are given in microelectronvolts. Angle φ is the angle between the lattice vector a1 of the bottom graphene layer and the lattice vector L1 = n1a1 + n2a2 of the commensurate moiré pattern (n1,n2).