CXZ LATTICE,NONEQUIV.ATOMS 5 12 B2/m MODE OF CALC=RELA unit=bohr 22.915764 18.962646 9.975297 90.000000 90.000000 65.010000 ATOM -1: X=0.83370000 Y=0.70930000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.16630000 Y=0.29070000 Z=0.00000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 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 -2: X=0.84710000 Y=0.34950000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.15290000 Y=0.65050000 Z=0.00000000 In NPT= 781 R0=.000010000 RMT= 2.50000 Z: 49.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.84950000 Y=0.05150000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.15050000 Y=0.94850000 Z=0.00000000 In NPT= 781 R0=.000010000 RMT= 2.50000 Z: 49.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.57750000 Y=0.57690000 Z=0.00000000 MULT= 2 ISPLIT= 8 -4: X=0.42250000 Y=0.42310000 Z=0.00000000 In NPT= 781 R0=.000010000 RMT= 2.50000 Z: 49.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.56570000 Y=0.10020000 Z=0.00000000 MULT= 2 ISPLIT= 8 -5: X=0.43430000 Y=0.89980000 Z=0.00000000 In NPT= 781 R0=.000010000 RMT= 2.50000 Z: 49.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000