P LATTICE,NONEQUIV.ATOMS 4 62 Pnma MODE OF CALC=RELA unit=bohr 13.448236 19.036912 13.464110 90.000000 90.000000 90.000000 ATOM -1: X=0.00620000 Y=0.25000000 Z=0.05770000 MULT= 4 ISPLIT= 8 -1: X=0.99380000 Y=0.75000000 Z=0.94230000 -1: X=0.50620000 Y=0.25000000 Z=0.44230000 -1: X=0.49380000 Y=0.75000000 Z=0.55770000 Sr NPT= 781 R0=.000010000 RMT= 2.39 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.27450000 Y=0.52800000 Z=0.22550000 MULT= 8 ISPLIT= 8 -2: X=0.72550000 Y=0.47200000 Z=0.77450000 -2: X=0.77450000 Y=0.52800000 Z=0.27450000 -2: X=0.22550000 Y=0.47200000 Z=0.72550000 -2: X=0.22550000 Y=0.02800000 Z=0.72550000 -2: X=0.77450000 Y=0.97200000 Z=0.27450000 -2: X=0.72550000 Y=0.02800000 Z=0.77450000 -2: X=0.27450000 Y=0.97200000 Z=0.22550000 Sr NPT= 781 R0=.000010000 RMT= 2.39 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.48300000 Y=0.25000000 Z=0.00300000 MULT= 4 ISPLIT= 8 -3: X=0.51700000 Y=0.75000000 Z=0.99700000 -3: X=0.98300000 Y=0.25000000 Z=0.49700000 -3: X=0.01700000 Y=0.75000000 Z=0.50300000 Si NPT= 781 R0=.000100000 RMT= 2.50000 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.50000000 Y=0.00000000 Z=0.50000000 -4: X=0.50000000 Y=0.50000000 Z=0.50000000 -4: X=0.00000000 Y=0.50000000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 2.39 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000