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).文件夹“data”中存储了本文图2所示势能面（Potential Energy Surface, PES）等高线图的原始XYZ格式数据。各子文件夹内的“Contour plot.m”文件包含用于复现本文图2中(2,1)、(3,1)、(3,2)、(5,1)及(5,3)型PES的Mathematica代码。代码运行结果可参考“Contour plot.pdf”。 文件夹“dataSI”中存储了补充材料图S1所示PES等高线图的原始XYZ格式数据。各子文件夹内的“Contour plot.m”文件包含用于复现图S1中(7,2)、(7,3)及(7,5)型PES的Mathematica代码。代码运行结果可参考“Contour plot.pdf”。 “X.txt”与“Y.txt”文件中的坐标单位为埃（ångström），“Z.txt”文件中的能量单位为微电子伏特（μeV）。角度φ为底层石墨烯层的晶格矢量a₁与共格莫尔图案（n₁,n₂）的晶格矢量L₁ = n₁a₁ + n₂a₂之间的夹角。