3.1.26 IBRAV=114 simple triclinic lattice(単純三斜格子)

CELLDM(1) $=a$, CELLDM(2) $=b/a$, CELLDM(3) $=c/a$,
CELLDM(4) $=\cos{\alpha}$, CELLDM(5) $=\cos{\beta}$, CELLDM(6) $=\cos{\gamma} (0 < \alpha,\beta,\gamma < 180^{\circ})$,
$p=\sqrt{1+2\cos{\alpha}\cos{\beta}\cos{\gamma}-\cos^{2}{\alpha} -\cos^{2}{\beta}-\cos^{2}{\gamma}}$ , $\Omega=abcp$
$({\bf a}_{1},{\bf a}_{2},{\bf a}_{3})= ({\bf x},{\bf y},{\bf z}) \left( \beg... ...b & c \cos{\alpha} \\ 0 & 0 & c \frac{p}{\sin{\gamma}} \end{array} \right)$
$({\bf b}_{1},{\bf b}_{2},{\bf b}_{3})= \frac{2 \pi}{a} ({\bf x},{\bf y},{\bf ... ...} {p \sin{\gamma}} & \frac{a}{c}\frac{\sin{\gamma}}{p} \end{array} \right)$