P LATTICE,NONEQUIV.ATOMS 1 2 P-1 MODE OF CALC=RELA unit=bohr 8.745086 8.745464 9.290461 61.926000 61.923000 60.005000 ATOM -1: X=0.26816000 Y=0.26817000 Z=0.19550000 MULT= 2 ISPLIT= 8 -1: X=0.73184000 Y=0.73183000 Z=0.80450000 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