next up previous contents
Next: 4-9 x.xx y.yy z.zz Up: The CLUSTER file Previous: 2 GRP   Contents


3 7

This row contains the number of distinguishable atoms in the system. For a given symmetry, a distinguishable atom is one that cannot be associated with another atom already list through by the relevant symmetry. For example methane has 2 distinguishable atoms, as does benzene and water, propane has 5 distinguishable atoms and ET has 7

Kevin Brake 2004-03-23