P LATTICE,NONEQUIV.ATOMS 4 62 Pnma MODE OF CALC=RELA unit=bohr 13.324459 18.360579 12.695180 90.000000 90.000000 90.000000 ATOM -1: X=0.42300000 Y=0.25000000 Z=0.02300000 MULT= 4 ISPLIT= 8 -1: X=0.57700000 Y=0.75000000 Z=0.97700000 -1: X=0.92300000 Y=0.25000000 Z=0.47700000 -1: X=0.07700000 Y=0.75000000 Z=0.52300000 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=0.00000000 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= 2.50000 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=0.51800000 Y=0.25000000 Z=0.59900000 MULT= 4 ISPLIT= 8 -3: X=0.48200000 Y=0.75000000 Z=0.40100000 -3: X=0.01800000 Y=0.25000000 Z=0.90100000 -3: X=0.98200000 Y=0.75000000 Z=0.09900000 S NPT= 781 R0=.000100000 RMT= 2.13 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=0.19600000 Y=0.04800000 Z=0.30900000 MULT= 8 ISPLIT= 8 -4: X=0.80400000 Y=0.95200000 Z=0.69100000 -4: X=0.69600000 Y=0.04800000 Z=0.19100000 -4: X=0.30400000 Y=0.95200000 Z=0.80900000 -4: X=0.30400000 Y=0.54800000 Z=0.80900000 -4: X=0.69600000 Y=0.45200000 Z=0.19100000 -4: X=0.80400000 Y=0.54800000 Z=0.69100000 -4: X=0.19600000 Y=0.45200000 Z=0.30900000 S NPT= 781 R0=.000100000 RMT= 2.13 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000