P LATTICE,NONEQUIV.ATOMS 4 1 P1 MODE OF CALC=RELA unit=bohr 4.660065 4.660065 12.712188 90.000000 90.000000120.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 8 C NPT= 781 R0=.000100000 RMT= 1.34 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.33330000 Y=0.66660000 Z=0.00000000 MULT= 1 ISPLIT= 8 C NPT= 781 R0=.000100000 RMT= 1.34 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.66670000 Y=0.33340000 Z=0.50000000 MULT= 1 ISPLIT= 8 C NPT= 781 R0=.000100000 RMT= 1.34 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.00000000 Y=0.00000000 Z=0.50000000 MULT= 1 ISPLIT= 8 C NPT= 781 R0=.000100000 RMT= 1.34 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000