Atom.dat
The atom.dat file contains information about different elements/isotopes, where each row defines an element/isotope. The meaning of the columns are the following:
- Name of element, string. These labels can be used in the [[SwpropertiesEN#2][sw.unit_cell]].label field to assign different atoms to crystallographic positions.
- Radius in Angstrom, double. This gives the atomic radius for plotting.
- Color RGB code, 3 integer. This gives the color for plottig the atom.
- Mass, double. The mass of the element/isotope for unit cell mass calculation.
- Long name, string. Long name of the element/isotope.