The lattice points are touching one another but not in the most efficient way. In other words, we are creating a lot of empty space between the atoms. In order to generate the simple cubic structure, ...

while the face-centered cubic (FCC) lattice is confirmed as the ground state for Lennard-Jones energies. Additionally, phase transitions between different lattice structures, such as FCC, simple ...

The simple cubic unit cell is delineated by eight atoms, which mark the actual cube. These are corner atoms, so each one only contributes one eighth of an atom to the unit cell, thus giving us only ...