P LATTICE,NONEQUIV.ATOMS 4 62 Pnma MODE OF CALC=RELA unit=bohr 11.130487 15.646932 11.073795 90.000000 90.000000 90.000000 ATOM -1: X=0.01600000 Y=0.25000000 Z=0.49600000 MULT= 4 ISPLIT= 8 -1: X=0.98400000 Y=0.75000000 Z=0.50400000 -1: X=0.51600000 Y=0.25000000 Z=0.00400000 -1: X=0.48400000 Y=0.75000000 Z=0.99600000 Sr NPT= 781 R0=.000010000 RMT= 2.43 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=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.50000000 Y=0.00000000 Z=0.50000000 -2: X=0.50000000 Y=0.50000000 Z=0.50000000 -2: X=0.00000000 Y=0.50000000 Z=0.00000000 Hf NPT= 781 R0=.000005000 RMT= 2.12 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.48600000 Y=0.25000000 Z=0.56300000 MULT= 4 ISPLIT= 8 -3: X=0.51400000 Y=0.75000000 Z=0.43700000 -3: X=0.98600000 Y=0.25000000 Z=0.93700000 -3: X=0.01400000 Y=0.75000000 Z=0.06300000 O NPT= 781 R0=.000100000 RMT= 1.83 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.27900000 Y=0.03400000 Z=0.21900000 MULT= 8 ISPLIT= 8 -4: X=0.72100000 Y=0.96600000 Z=0.78100000 -4: X=0.77900000 Y=0.03400000 Z=0.28100000 -4: X=0.22100000 Y=0.96600000 Z=0.71900000 -4: X=0.22100000 Y=0.53400000 Z=0.71900000 -4: X=0.77900000 Y=0.46600000 Z=0.28100000 -4: X=0.72100000 Y=0.53400000 Z=0.78100000 -4: X=0.27900000 Y=0.46600000 Z=0.21900000 O NPT= 781 R0=.000100000 RMT= 1.83 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000