##### Number of group elements ##### ##### and atoms in unit cell. ##### 8 30 ##### 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 -0.5551115123E-16 0.0000000000E+00 -0.5551115123E-16 1 3 3 0.0000000000E+00 -0.5551115123E-16 -0.5551115123E-16 1 4 4 0.0000000000E+00 0.0000000000E+00 -0.1110223025E-15 1 5 5 0.0000000000E+00 0.0000000000E+00 -0.2220446049E-15 1 6 6 -0.1665334537E-15 -0.1665334537E-15 -0.2220446049E-15 1 7 7 0.0000000000E+00 -0.5551115123E-16 -0.4440892099E-15 1 8 8 -0.5551115123E-16 0.0000000000E+00 -0.4440892099E-15 1 9 9 0.0000000000E+00 0.0000000000E+00 -0.4440892099E-15 1 10 10 -0.5551115123E-16 -0.5551115123E-16 -0.4440892099E-15 1 11 11 0.0000000000E+00 0.0000000000E+00 -0.4440892099E-15 1 12 12 -0.1110223025E-15 0.0000000000E+00 -0.8881784197E-15 1 13 13 0.0000000000E+00 -0.1110223025E-15 -0.8881784197E-15 1 14 14 -0.1110223025E-15 -0.1110223025E-15 -0.4440892099E-15 1 15 15 0.0000000000E+00 0.0000000000E+00 0.8881784197E-15 1 16 16 -0.5551115123E-16 -0.5551115123E-16 0.4440892099E-15 1 17 17 0.0000000000E+00 -0.1110223025E-15 0.8881784197E-15 1 18 18 -0.1110223025E-15 0.0000000000E+00 0.8881784197E-15 1 19 19 0.0000000000E+00 0.0000000000E+00 0.4440892099E-15 1 20 20 -0.5551115123E-16 -0.5551115123E-16 0.0000000000E+00 1 21 21 0.0000000000E+00 0.0000000000E+00 0.4440892099E-15 1 22 22 -0.1110223025E-15 0.0000000000E+00 0.4440892099E-15 1 23 23 0.0000000000E+00 -0.1110223025E-15 0.4440892099E-15 1 24 24 -0.1110223025E-15 -0.1110223025E-15 0.2220446049E-15 1 25 25 0.0000000000E+00 0.0000000000E+00 0.2220446049E-15 1 26 26 -0.5551115123E-16 -0.5551115123E-16 0.4440892099E-15 1 27 27 0.0000000000E+00 -0.5551115123E-16 0.1110223025E-15 1 28 28 -0.5551115123E-16 0.0000000000E+00 0.1110223025E-15 1 29 29 0.0000000000E+00 0.0000000000E+00 0.1110223025E-15 1 30 30 -0.1110223025E-15 -0.1110223025E-15 0.1110223025E-15 2 1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00 2 2 2 -0.1000000000E+01 -0.6123233996E-16 -0.5551115123E-16 2 3 3 0.6123233996E-16 -0.1000000000E+01 -0.5551115123E-16 2 4 4 -0.1000000000E+01 -0.1000000000E+01 -0.1110223025E-15 2 5 5 0.0000000000E+00 0.0000000000E+00 -0.2220446049E-15 2 6 6 -0.1000000000E+01 -0.1000000000E+01 -0.2220446049E-15 2 7 7 0.6123233996E-16 -0.1000000000E+01 -0.4440892099E-15 2 8 8 -0.1000000000E+01 -0.6123233996E-16 -0.4440892099E-15 2 9 9 0.0000000000E+00 0.0000000000E+00 -0.4440892099E-15 2 10 10 -0.1000000000E+01 -0.1000000000E+01 -0.4440892099E-15 2 11 11 0.0000000000E+00 0.0000000000E+00 -0.4440892099E-15 2 12 12 -0.1000000000E+01 -0.6123233996E-16 -0.8881784197E-15 2 13 13 0.6123233996E-16 -0.1000000000E+01 -0.8881784197E-15 2 14 14 -0.1000000000E+01 -0.1000000000E+01 -0.4440892099E-15 2 15 15 0.0000000000E+00 0.0000000000E+00 0.8881784197E-15 2 16 16 -0.1000000000E+01 -0.1000000000E+01 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(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)