I have a
.car file that contains dimensions (periodic boundary conditions) for the unit-cell of a hexagonal crystal material I'm working with:
PBC 27.1979 27.1979 15.4999 90.0000 90.0000 120.0000 (P1)
That's the a, b, c lengths and $\alpha$, $\beta$, $\gamma$ angles.
I need to convert this information into basis vectors in cartesian space, e.g.
basis1 27.1979 ? 0.0
basis2 0.0 27.1979 0.0
basis3 0.0 0.0 15.4999
This may be better suited as a math question but it's computational-chemistry specific.