F LATTICE,NONEQUIV.ATOMS 2 43 Fdd2 MODE OF CALC=RELA unit=bohr 13.476582 13.476582 13.476582 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=-2 -1: X=0.25000000 Y=0.25000000 Z=0.25000000 Si NPT= 781 R0=.000100000 RMT= 1.40 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.07920000 Y=0.17080000 Z=0.12500000 MULT= 4 ISPLIT= 8 -2: X=0.92080000 Y=0.82920000 Z=0.12500000 -2: X=0.17080000 Y=0.42080000 Z=0.37500000 -2: X=0.32920000 Y=0.07920000 Z=0.37500000 O NPT= 781 R0=.000100000 RMT= 1.63 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000