[Shell 1]
LSHELL = 2
IONS = 2
EWINDOW = -1.45  1.8

TRANSFORM = 1.0  0.0  0.0  0.0  0.0
            0.0  1.0  0.0  0.0  0.0
            0.0  0.0  0.0  1.0  0.0