geometry
C 0.000 0.000 0.000 mass 13.003355
...
...
...
end
would set the mass of all carbon atoms with the tag "C" to 13.003355
geometry
C13 0.000 0.000 0.000 mass 13.003355
C 0.000 0.000 1.000
...
...
...
end
would set the mass of all carbon atoms with the tag "C13" to 13.003355, while those with the tag "C" would remain the default value (12.000000)
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