B LATTICE,NONEQUIV.ATOMS 1 74 Imma MODE OF CALC=RELA unit=bohr 8.507547 8.951633 4.818802 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.25000000 Z=0.05800000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.75000000 Z=0.94200000 Si NPT= 781 R0=.000100000 RMT= 2.24 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000