temperature
Set the atom temperature (X-Ray Debye-Waller factor), in Angstrom squared:
0 < T < 100. Generally, T < 30 signifies confidence in its position, while
T > 60 signifies disorder.
Example: <atom ... temperature="0.0"/> (default)
(defined in GAMGI_CHEM_ATOM_TEMPERATURE)
Allowed values: 0.0 - 100.0 real (optional)
occupancy
The degree of atom occupancy of a given position, as measured by X-ray diffraction.
Example: <atom ... occupancy="1.0"/> (default)
Allowed values: 0.0 - 1.0 real (optional)