CXY LATTICE,NONEQUIV.ATOMS 4 63 Cmcm MODE OF CALC=RELA unit=bohr 10.506877 17.309891 16.043775 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.00000000 Z=0.50000000 Ag NPT= 781 R0=.000010000 RMT= 2.46 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.16700000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.83300000 Z=0.75000000 Ag NPT= 781 R0=.000010000 RMT= 2.46 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.25000000 Y=0.41700000 Z=0.25000000 MULT= 4 ISPLIT= 8 -3: X=0.75000000 Y=0.58300000 Z=0.75000000 -3: X=0.75000000 Y=0.41700000 Z=0.25000000 -3: X=0.25000000 Y=0.58300000 Z=0.75000000 Ag NPT= 781 R0=.000010000 RMT= 2.46 Z: 47.00000 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=0.33300000 Z=0.56300000 MULT= 4 ISPLIT= 8 -4: X=0.00000000 Y=0.66700000 Z=0.43700000 -4: X=0.00000000 Y=0.33300000 Z=0.93700000 -4: X=0.00000000 Y=0.66700000 Z=0.06300000 Si NPT= 781 R0=.000100000 RMT= 2.50000 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000