P LATTICE,NONEQUIV.ATOMS 2 11 P21/m MODE OF CALC=RELA unit=bohr 12.566679 8.787227 7.936850 90.000000 90.000000 94.670000 ATOM -1: X=0.26000000 Y=0.08000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.74000000 Y=0.92000000 Z=0.75000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.66000000 Y=0.40000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.34000000 Y=0.60000000 Z=0.75000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000