P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 14.705849 8.636048 16.104246 90.000000 90.000000 90.000000 ATOM -1: X=0.01540000 Y=0.25000000 Z=0.68280000 MULT= 4 ISPLIT= 8 -1: X=0.98460000 Y=0.75000000 Z=0.31720000 -1: X=0.51540000 Y=0.25000000 Z=0.81720000 -1: X=0.48460000 Y=0.75000000 Z=0.18280000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.14180000 Y=0.25000000 Z=0.06140000 MULT= 4 ISPLIT= 8 -2: X=0.85820000 Y=0.75000000 Z=0.93860000 -2: X=0.64180000 Y=0.25000000 Z=0.43860000 -2: X=0.35820000 Y=0.75000000 Z=0.56140000 Mg NPT= 781 R0=.000100000 RMT= 2.50000 Z: 12.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.27940000 Y=0.25000000 Z=0.38810000 MULT= 4 ISPLIT= 8 -3: X=0.72060000 Y=0.75000000 Z=0.61190000 -3: X=0.77940000 Y=0.25000000 Z=0.11190000 -3: X=0.22060000 Y=0.75000000 Z=0.88810000 Si NPT= 781 R0=.000100000 RMT= 2.42 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000