P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 14.334896 8.532491 15.987083 90.000000 90.000000 90.000000 ATOM -1: X=0.02888000 Y=0.25000000 Z=0.67811000 MULT= 4 ISPLIT= 8 -1: X=0.97112000 Y=0.75000000 Z=0.32189000 -1: X=0.52888000 Y=0.25000000 Z=0.82189000 -1: X=0.47112000 Y=0.75000000 Z=0.17811000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 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=0.27867000 Y=0.25000000 Z=0.37864000 MULT= 4 ISPLIT= 8 -2: X=0.72133000 Y=0.75000000 Z=0.62136000 -2: X=0.77867000 Y=0.25000000 Z=0.12136000 -2: X=0.22133000 Y=0.75000000 Z=0.87864000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 Z: 78.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.14576000 Y=0.25000000 Z=0.06562000 MULT= 4 ISPLIT= 8 -3: X=0.85424000 Y=0.75000000 Z=0.93438000 -3: X=0.64576000 Y=0.25000000 Z=0.43438000 -3: X=0.35424000 Y=0.75000000 Z=0.56562000 In NPT= 781 R0=.000010000 RMT= 2.50000 Z: 49.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000