Bravais lattice: Orthorhombic C-base centred a b c 1.00000000 1.10000000 1.30000000 alpha beta gamma 90.00000000 90.00000000 90.00000000 ===== Decomposition of new basis vectors over input basis ===== 1.000000 0.000000 0.000000 <--- 1 0.000000 1.000000 0.000000 <--- 2 0.000000 0.000000 1.000000 <--- 3 ==== Number of atoms in cell (only atoms of primitive cell): 1 ==== Atom positions (only atoms of primitive cell): 0.00000000 0.00000000 0.00000000 Atom ==== Number of nonequivalent sorts: 1 ==== Nonequivalent atoms, point group for each sort: ==== Sort number: 1 Names of point group: mmm 2/m 2/m 2/m D2h New basis vectors for this point group: 1.0000 0.0000 0.0000 <--- 1 0.0000 1.0000 0.0000 <--- 2 0.0000 0.0000 1.0000 <--- 3 Atom positions: 1 0.00000000 0.00000000 0.00000000 Atom ====================================================================== Number and name of space group: 65 (C m m m) - Short - Full - Schoenflies - names of point group: mmm 2/m 2/m 2/m D2h Number of symmetry operations: 8 Operation: 1 1.0 0.0 0.0 0.000 0.0 1.0 0.0 0.000 0.0 0.0 1.0 0.000 Operation: 2 -1.0 0.0 0.0 0.000 0.0 -1.0 0.0 0.000 0.0 0.0 1.0 0.000 Operation: 3 -1.0 0.0 0.0 0.000 0.0 1.0 0.0 0.000 0.0 0.0 -1.0 0.000 Operation: 4 1.0 0.0 0.0 0.000 0.0 -1.0 0.0 0.000 0.0 0.0 -1.0 0.000 Operation: 5 -1.0 0.0 0.0 0.000 0.0 -1.0 0.0 0.000 0.0 0.0 -1.0 0.000 Operation: 6 1.0 0.0 0.0 0.000 0.0 1.0 0.0 0.000 0.0 0.0 -1.0 0.000 Operation: 7 1.0 0.0 0.0 0.000 0.0 -1.0 0.0 0.000 0.0 0.0 1.0 0.000 Operation: 8 -1.0 0.0 0.0 0.000 0.0 1.0 0.0 0.000 0.0 0.0 1.0 0.000 ============================================================ ===== Number of possible shift vectors: 4 ===== ===== List of shift vectors: 0.0000 0.0000 0.0000 0.0000 0.0000 0.5000 0.5000 0.0000 0.0000 0.5000 0.0000 0.5000 List of shifted cells: Cell #1 Shift vector: 0.0000 0.0000 0.5000 Nonequivalent atoms : 0.00000000 0.00000000 0.50000000 Atom Cell #2 Shift vector: 0.5000 0.0000 0.0000 Nonequivalent atoms : 0.50000000 0.00000000 0.00000000 Atom Cell #3 Shift vector: 0.5000 0.0000 0.5000 Nonequivalent atoms : 0.50000000 0.00000000 0.50000000 Atom