B LATTICE,NONEQUIV.ATOMS 4 71 Immm MODE OF CALC=RELA unit=bohr 7.691185 9.117929 35.887789 90.000000 90.000000 90.000000 ATOM -1: X=0.50000000 Y=0.00000000 Z=0.18500000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.00000000 Z=0.81500000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 8 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.50000000 Y=0.00000000 Z=0.36100000 MULT= 2 ISPLIT= 8 -3: X=0.50000000 Y=0.00000000 Z=0.63900000 Si NPT= 781 R0=.000100000 RMT= 2.14 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 -4: X=0.00000000 Y=0.00000000 Z=0.43400000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.00000000 Z=0.56600000 Al NPT= 781 R0=.000100000 RMT= 2.35 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000