##### Number of group elements ##### ##### and atoms in unit cell. ##### 8 8 ##### ir-ig group correspondance ##### ##### ir and ig ##### 1 1 2 4 3 14 4 15 5 25 6 28 7 38 8 39 ##### Rotation of atom positions ##### ##### ir, atom pre/post rot, x,y,z ##### 1 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 1 2 2 0.0000000000E+00 0.0000000000E+00 -0.2220446049E-15 1 3 3 -0.1110223025E-15 -0.1110223025E-15 0.0000000000E+00 1 4 4 -0.5551115123E-16 0.0000000000E+00 -0.5551115123E-16 1 5 5 0.0000000000E+00 -0.5551115123E-16 -0.5551115123E-16 1 6 6 -0.5551115123E-16 0.0000000000E+00 -0.2220446049E-15 1 7 7 0.0000000000E+00 -0.5551115123E-16 -0.2220446049E-15 1 8 8 -0.5551115123E-16 -0.5551115123E-16 -0.1110223025E-15 2 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 2 2 2 0.0000000000E+00 0.0000000000E+00 -0.2220446049E-15 2 3 3 -0.1000000000E+01 -0.1000000000E+01 0.0000000000E+00 2 4 4 -0.1000000000E+01 -0.6123233996E-16 -0.5551115123E-16 2 5 5 0.6123233996E-16 -0.1000000000E+01 -0.5551115123E-16 2 6 6 -0.1000000000E+01 -0.6123233996E-16 -0.2220446049E-15 2 7 7 0.6123233996E-16 -0.1000000000E+01 -0.2220446049E-15 2 8 8 -0.1000000000E+01 -0.1000000000E+01 -0.1110223025E-15 3 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 3 2 2 0.0000000000E+00 0.0000000000E+00 -0.2220446049E-15 3 3 3 -0.1000000000E+01 0.5107025913E-14 0.0000000000E+00 3 4 5 0.5237222008E-14 -0.5551115123E-16 -0.5551115123E-16 3 5 4 -0.1000000000E+01 0.5237222008E-14 -0.5551115123E-16 3 6 7 0.5237222008E-14 -0.5551115123E-16 -0.2220446049E-15 3 7 6 -0.1000000000E+01 0.5237222008E-14 -0.2220446049E-15 3 8 8 -0.1000000000E+01 0.5218048216E-14 -0.1110223025E-15 4 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 4 2 2 0.0000000000E+00 0.0000000000E+00 -0.2220446049E-15 4 3 3 -0.1887379142E-14 -0.1000000000E+01 0.0000000000E+00 4 4 5 -0.1745740669E-14 -0.1000000000E+01 -0.5551115123E-16 4 5 4 -0.5551115123E-16 -0.1745740669E-14 -0.5551115123E-16 4 6 7 -0.1745740669E-14 -0.1000000000E+01 -0.2220446049E-15 4 7 6 -0.5551115123E-16 -0.1745740669E-14 -0.2220446049E-15 4 8 8 -0.1776356839E-14 -0.1000000000E+01 -0.1110223025E-15 5 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 5 2 2 0.0000000000E+00 0.0000000000E+00 -0.1604910000E+01 5 3 3 -0.1000000000E+01 -0.1000000000E+01 0.0000000000E+00 5 4 6 -0.1000000000E+01 0.0000000000E+00 -0.1604910000E+01 5 5 7 0.0000000000E+00 -0.1000000000E+01 -0.1604910000E+01 5 6 4 -0.1000000000E+01 0.0000000000E+00 -0.1604910000E+01 5 7 5 0.0000000000E+00 -0.1000000000E+01 -0.1604910000E+01 5 8 8 -0.1000000000E+01 -0.1000000000E+01 -0.1604910000E+01 6 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 6 2 2 0.0000000000E+00 0.0000000000E+00 -0.1604910000E+01 6 3 3 -0.1665334537E-15 0.0000000000E+00 0.0000000000E+00 6 4 6 -0.5551115123E-16 0.6123233996E-16 -0.1604910000E+01 6 5 7 -0.6123233996E-16 -0.5551115123E-16 -0.1604910000E+01 6 6 4 -0.5551115123E-16 0.6123233996E-16 -0.1604910000E+01 6 7 5 -0.6123233996E-16 -0.5551115123E-16 -0.1604910000E+01 6 8 8 -0.1110223025E-15 0.1110223025E-15 -0.1604910000E+01 7 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 7 2 2 0.0000000000E+00 0.0000000000E+00 -0.1604910000E+01 7 3 3 -0.5329070518E-14 -0.1000000000E+01 0.0000000000E+00 7 4 7 -0.5237222008E-14 -0.1000000000E+01 -0.1604910000E+01 7 5 6 -0.5551115123E-16 -0.5237222008E-14 -0.1604910000E+01 7 6 5 -0.5237222008E-14 -0.1000000000E+01 -0.1604910000E+01 7 7 4 -0.5551115123E-16 -0.5237222008E-14 -0.1604910000E+01 7 8 8 -0.5273559367E-14 -0.1000000000E+01 -0.1604910000E+01 8 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 8 2 2 0.0000000000E+00 0.0000000000E+00 -0.1604910000E+01 8 3 3 -0.1000000000E+01 0.1665334537E-14 0.0000000000E+00 8 4 7 0.1745740669E-14 -0.5551115123E-16 -0.1604910000E+01 8 5 6 -0.1000000000E+01 0.1745740669E-14 -0.1604910000E+01 8 6 5 0.1745740669E-14 -0.5551115123E-16 -0.1604910000E+01 8 7 4 -0.1000000000E+01 0.1745740669E-14 -0.1604910000E+01 8 8 8 -0.1000000000E+01 0.1665334537E-14 -0.1604910000E+01 8 (1.00000000000000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (1.00000000000000,0.000000000000000E+000) (6.123233995736766E-017,-1.00000000000000) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (6.123233995736766E-017,1.00000000000000) (-0.707106781186551,-0.707106781186544) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (-0.707106781186551,0.707106781186544) (0.707106781186546,-0.707106781186549) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (0.707106781186546,0.707106781186549) (0.000000000000000E+000,1.00000000000000) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,1.00000000000000) (1.00000000000000,6.123233995736766E-017) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (-1.00000000000000,6.123233995736766E-017) (0.707106781186544,-0.707106781186551) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (-0.707106781186544,-0.707106781186551) (0.707106781186549,0.707106781186546) (0.000000000000000E+000,0.000000000000000E+000) (0.000000000000000E+000,0.000000000000000E+000) (-0.707106781186549,0.707106781186546)