P LATTICE,NONEQUIV.ATOMS 4 55 Pbam MODE OF CALC=RELA unit=bohr 9.410836 16.724076 5.196747 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.50000000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 1.54 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=0.41810000 Y=0.16710000 Z=0.50000000 MULT= 4 ISPLIT= 8 -2: X=0.58190000 Y=0.83290000 Z=0.50000000 -2: X=0.08190000 Y=0.66710000 Z=0.50000000 -2: X=0.91810000 Y=0.33290000 Z=0.50000000 Mg NPT= 781 R0=.000100000 RMT= 1.95 Z: 12.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.28360000 Y=0.45520000 Z=0.50000000 MULT= 4 ISPLIT= 8 -3: X=0.71640000 Y=0.54480000 Z=0.50000000 -3: X=0.21640000 Y=0.95520000 Z=0.50000000 -3: X=0.78360000 Y=0.04480000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.79 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.10750000 Y=0.19130000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.89250000 Y=0.80870000 Z=0.00000000 -4: X=0.39250000 Y=0.69130000 Z=0.00000000 -4: X=0.60750000 Y=0.30870000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.79 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000