This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• Mg_DFT_mechanical.tar.xz: It corresponds to a dataset that is commonly used to fit interatomic potentials for mechanics applications and includes structure-energy relationships for structures used to calculate:

1. Bulk properties

   • Elastic constants
   • Cohesive energy
   • Energy-volume relationship

2. Generalized stacking fault energies

   • Curve for basal stacking fault
   • Curve for pyramidal I stacking fault
   • Curce for pyramidal II stacking fault
   • Stable stacking faults with \sigma_{3j} relaxation

3. Decohesion and relaxed surfaces

   • Basal plane
   • Prism plane
   • Pyramidal I plane
   • Pyramidal II plane
   • Relaxed surfaces

4. Dimer

   • 2 atom from small to large distance

5. Corner and rod geometries

   • Basal: bulk, dot, rod
   • Pyramidal I: bulk, dot, rod
   • Pyramidal II: bulk, dot, rod

6. Vacancy formation energy

   • Several structures with varying number of atoms

The dataset provides the raw unaltered VASP output.