P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 13.277216 7.938739 15.110250 90.000000 90.000000 90.000000 ATOM -1: X=0.02600000 Y=0.25000000 Z=0.66300000 MULT= 4 ISPLIT= 8 -1: X=0.97400000 Y=0.75000000 Z=0.33700000 -1: X=0.52600000 Y=0.25000000 Z=0.83700000 -1: X=0.47400000 Y=0.75000000 Z=0.16300000 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=0.14100000 Y=0.25000000 Z=0.06300000 MULT= 4 ISPLIT= 8 -2: X=0.85900000 Y=0.75000000 Z=0.93700000 -2: X=0.64100000 Y=0.25000000 Z=0.43700000 -2: X=0.35900000 Y=0.75000000 Z=0.56300000 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=0.25600000 Y=0.25000000 Z=0.37600000 MULT= 4 ISPLIT= 8 -3: X=0.74400000 Y=0.75000000 Z=0.62400000 -3: X=0.75600000 Y=0.25000000 Z=0.12400000 -3: X=0.24400000 Y=0.75000000 Z=0.87600000 Si NPT= 781 R0=.000100000 RMT= 2.28 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000