P LATTICE,NONEQUIV.ATOMS 4 130 P4/ncc MODE OF CALC=RELA unit=bohr 12.703684 12.703684 25.539649 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.25000000 Z=0.01118000 MULT= 4 ISPLIT=-2 -1: X=0.75000000 Y=0.75000000 Z=0.98882000 -1: X=0.25000000 Y=0.25000000 Z=0.51118000 -1: X=0.75000000 Y=0.75000000 Z=0.48882000 Si NPT= 781 R0=.000100000 RMT= 2.28 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=0.37779000 Y=0.62221000 Z=0.25000000 MULT= 8 ISPLIT= 8 -2: X=0.62221000 Y=0.37779000 Z=0.75000000 -2: X=0.87779000 Y=0.37779000 Z=0.25000000 -2: X=0.12221000 Y=0.62221000 Z=0.75000000 -2: X=0.12221000 Y=0.87779000 Z=0.25000000 -2: X=0.87779000 Y=0.12221000 Z=0.75000000 -2: X=0.62221000 Y=0.12221000 Z=0.25000000 -2: X=0.37779000 Y=0.87779000 Z=0.75000000 Si NPT= 781 R0=.000100000 RMT= 2.28 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -3: X=0.25000000 Y=0.25000000 Z=0.21887000 MULT= 4 ISPLIT=-2 -3: X=0.75000000 Y=0.75000000 Z=0.78113000 -3: X=0.25000000 Y=0.25000000 Z=0.71887000 -3: X=0.75000000 Y=0.75000000 Z=0.28113000 Al NPT= 781 R0=.000100000 RMT= 2.50000 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.06945000 Y=0.59523000 Z=0.09726000 MULT=16 ISPLIT= 8 -4: X=0.93055000 Y=0.40477000 Z=0.90274000 -4: X=0.90477000 Y=0.06945000 Z=0.09726000 -4: X=0.09523000 Y=0.93055000 Z=0.90274000 -4: X=0.43055000 Y=0.59523000 Z=0.59726000 -4: X=0.56945000 Y=0.40477000 Z=0.40274000 -4: X=0.43055000 Y=0.90477000 Z=0.09726000 -4: X=0.56945000 Y=0.09523000 Z=0.90274000 -4: X=0.90477000 Y=0.43055000 Z=0.59726000 -4: X=0.09523000 Y=0.56945000 Z=0.40274000 -4: X=0.59523000 Y=0.43055000 Z=0.09726000 -4: X=0.40477000 Y=0.56945000 Z=0.90274000 -4: X=0.06945000 Y=0.90477000 Z=0.59726000 -4: X=0.93055000 Y=0.09523000 Z=0.40274000 -4: X=0.59523000 Y=0.06945000 Z=0.59726000 -4: X=0.40477000 Y=0.93055000 Z=0.40274000 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