P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 12.755651 7.653391 15.004426 90.000000 90.000000 90.000000 ATOM -1: X=0.03230000 Y=0.25000000 Z=0.66950000 MULT= 4 ISPLIT= 8 -1: X=0.96770000 Y=0.75000000 Z=0.33050000 -1: X=0.53230000 Y=0.25000000 Z=0.83050000 -1: X=0.46770000 Y=0.75000000 Z=0.16950000 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 -2: X=0.14190000 Y=0.25000000 Z=0.06740000 MULT= 4 ISPLIT= 8 -2: X=0.85810000 Y=0.75000000 Z=0.93260000 -2: X=0.64190000 Y=0.25000000 Z=0.43260000 -2: X=0.35810000 Y=0.75000000 Z=0.56740000 Al NPT= 781 R0=.000100000 RMT= 2.50000 Z: 13.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.26040000 Y=0.25000000 Z=0.37700000 MULT= 4 ISPLIT= 8 -3: X=0.73960000 Y=0.75000000 Z=0.62300000 -3: X=0.76040000 Y=0.25000000 Z=0.12300000 -3: X=0.23960000 Y=0.75000000 Z=0.87700000 Si NPT= 781 R0=.000100000 RMT= 2.25 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000