P LATTICE,NONEQUIV.ATOMS 5 62 Pnma MODE OF CALC=RELA unit=bohr 17.270207 6.980648 26.219950 90.000000 90.000000 90.000000 ATOM -1: X=0.03676000 Y=0.25000000 Z=0.82850000 MULT= 4 ISPLIT= 8 -1: X=0.96324000 Y=0.75000000 Z=0.17150000 -1: X=0.53676000 Y=0.25000000 Z=0.67150000 -1: X=0.46324000 Y=0.75000000 Z=0.32850000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.16246000 Y=0.25000000 Z=0.44952000 MULT= 4 ISPLIT= 8 -2: X=0.83754000 Y=0.75000000 Z=0.55048000 -2: X=0.66246000 Y=0.25000000 Z=0.05048000 -2: X=0.33754000 Y=0.75000000 Z=0.94952000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.27240000 Y=0.25000000 Z=0.28450000 MULT= 4 ISPLIT= 8 -3: X=0.72760000 Y=0.75000000 Z=0.71550000 -3: X=0.77240000 Y=0.25000000 Z=0.21550000 -3: X=0.22760000 Y=0.75000000 Z=0.78450000 S NPT= 781 R0=.000100000 RMT= 2.11 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.16970000 Y=0.25000000 Z=0.00700000 MULT= 4 ISPLIT= 8 -4: X=0.83030000 Y=0.75000000 Z=0.99300000 -4: X=0.66970000 Y=0.25000000 Z=0.49300000 -4: X=0.33030000 Y=0.75000000 Z=0.50700000 S NPT= 781 R0=.000100000 RMT= 2.11 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.01460000 Y=0.25000000 Z=0.60690000 MULT= 4 ISPLIT= 8 -5: X=0.98540000 Y=0.75000000 Z=0.39310000 -5: X=0.51460000 Y=0.25000000 Z=0.89310000 -5: X=0.48540000 Y=0.75000000 Z=0.10690000 S NPT= 781 R0=.000100000 RMT= 2.11 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000