P LATTICE,NONEQUIV.ATOMS 4 132 P42/mcm MODE OF CALC=RELA unit=bohr 15.333805 15.333805 10.291449 90.000000 90.000000 90.000000 ATOM -1: X=0.06692000 Y=0.31365000 Z=0.00000000 MULT= 8 ISPLIT= 8 -1: X=0.93308000 Y=0.68635000 Z=0.00000000 -1: X=0.68635000 Y=0.06692000 Z=0.50000000 -1: X=0.31365000 Y=0.93308000 Z=0.50000000 -1: X=0.93308000 Y=0.31365000 Z=0.50000000 -1: X=0.06692000 Y=0.68635000 Z=0.50000000 -1: X=0.68635000 Y=0.93308000 Z=0.00000000 -1: X=0.31365000 Y=0.06692000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 1.40 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.26575000 Y=0.26575000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.73425000 Y=0.73425000 Z=0.00000000 -2: X=0.73425000 Y=0.26575000 Z=0.50000000 -2: X=0.26575000 Y=0.73425000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068 0.7071068 0.0000000 0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -3: X=0.23088000 Y=0.00000000 Z=0.25000000 MULT= 8 ISPLIT= 8 -3: X=0.76912000 Y=0.00000000 Z=0.75000000 -3: X=0.00000000 Y=0.23088000 Z=0.75000000 -3: X=0.00000000 Y=0.76912000 Z=0.25000000 -3: X=0.76912000 Y=0.00000000 Z=0.25000000 -3: X=0.23088000 Y=0.00000000 Z=0.75000000 -3: X=0.00000000 Y=0.76912000 Z=0.75000000 -3: X=0.00000000 Y=0.23088000 Z=0.25000000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.50000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.50000000 Y=0.00000000 Z=0.50000000 -4: X=0.00000000 Y=0.50000000 Z=0.50000000 -4: X=0.50000000 Y=0.00000000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000