The nuclear charge of an Alternative Element is not pre-defined, and must therefore be specified in the Create run. The atomic mass is optionally supplied.
CREATE J.NewElement q=Q {m=mass} datafile
J.NewElement
The atom type name, beginning with the alternative chemical element symbol J. It has an (optional) suffix of the form .text, completely similar to the construction of atom type names from standard chemical element symbols.
Q
The nuclear charge. The q= option must be used for a J-element.
It must not be used for standard chemical elements.
mass
The atomic mass, in atomic mass units. If not supplied it will be set to the atomic mass of the standard chemical element with nuclear charge A, where A equals Q rounded to the nearest integer, but not smaller than 1 and not larger than 103.
datafile
The Create data file.
If you want to use the Alternative Element feature you'll have to construct your own Create data file, suited to the Alternative Element you have in mind. Appendix 5.1 describes the format of such a file.
