move -move an atom to a given position, or by a relative displacement
move atom [by|to] x
move species by x y z
move all by x y z
The move command moves selected atoms to an absolute position, or by a relative displacement. Atoms can be selected by atom name, in which case both absolute and relative displacements are allowed. If the atoms are specified by species name, only relative displacements are allowed, and all atoms of that species are moved by the same relative displacement. A global relative motion of all atoms is specified by the keyword all. The move command will move atoms even if they were locked using the lock command. Absolute positions and relative displacements must be given in atomic units.