F LATTICE,NONEQUIV.ATOMS 2 216 F-43m MODE OF CALC=RELA unit=bohr 13.360364 13.360364 13.360364 90.000000 90.000000 90.000000 ATOM 1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 2 S NPT= 781 R0=.000100000 RMT= 1.35 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.12000000 Y=0.12000000 Z=0.12000000 MULT= 4 ISPLIT= 4 -2: X=0.12000000 Y=0.88000000 Z=0.88000000 -2: X=0.88000000 Y=0.88000000 Z=0.12000000 -2: X=0.88000000 Y=0.12000000 Z=0.88000000 O NPT= 781 R0=.000100000 RMT= 1.41 Z: 8.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503