F LATTICE,NONEQUIV.ATOMS 1 225 Fm-3m MODE OF CALC=RELA unit=bohr 6.570578 6.570578 6.570578 90.000000 90.000000 90.000000 ATOM 1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 2 Br NPT= 781 R0=.000050000 RMT= 2.31 Z: 35.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000