_id,Data tool associated with this file,multi-spectra,Calculation,Surface formation free energy
1,data_source,Modeling data,Code,Quantum Espresso
2,lab_environment,N/A,Pseudopotentials,Ultrasoft
3,measurement,N/A,Basis set,Planewave
4,measurement_type,DFT Calculation,Kinetic energy cutoff,30Ry
5,Measurement Type Other:,"",Exchange-Correlation Functional ,PBE
6,Resource comments:,Density Functional Theory (DFT) calculated formation free energy of m-plane of GaN surface with different oxygen configurations,K-point mesh,5x5x1
7,"","",Model systems,1010 m-plane GaN surfaces
8,"","",Thickness of the simulated systems,7-8 bilayers
9,"","",Lateral dimensions of the simulated systems,9.57 x 10.38 (Angstrom)