CXZ LATTICE,NONEQUIV.ATOMS 6 12 B2/m MODE OF CALC=RELA unit=bohr 28.648248 12.736754 7.653391 90.000000 90.000000 74.700000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 8 Mg NPT= 781 R0=.000100000 RMT= 2.50000 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 -2: X=0.65410000 Y=0.08900000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.34590000 Y=0.91100000 Z=0.00000000 Mg NPT= 781 R0=.000100000 RMT= 2.50000 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=0.43000000 Y=0.34800000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.57000000 Y=0.65200000 Z=0.00000000 Mg NPT= 781 R0=.000100000 RMT= 2.50000 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 -4: X=0.94350000 Y=0.64900000 Z=0.00000000 MULT= 2 ISPLIT= 8 -4: X=0.05650000 Y=0.35100000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.13 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 -5: X=0.81150000 Y=0.20000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -5: X=0.18850000 Y=0.80000000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.13 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 -6: X=0.78290000 Y=0.61700000 Z=0.00000000 MULT= 2 ISPLIT= 8 -6: X=0.21710000 Y=0.38300000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.13 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000