CXZ LATTICE,NONEQUIV.ATOMS 4 15 B2/b MODE OF CALC=RELA unit=bohr 18.184268 18.184268 11.493881 90.000000 90.000000 74.236000 ATOM -1: X=0.61991000 Y=0.38827000 Z=0.26442000 MULT= 4 ISPLIT= 8 -1: X=0.38009000 Y=0.61173000 Z=0.73558000 -1: X=0.38009000 Y=0.11173000 Z=0.26442000 -1: X=0.61991000 Y=0.88827000 Z=0.73558000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.67543000 Y=0.09335000 Z=0.08583000 MULT= 4 ISPLIT= 8 -2: X=0.32457000 Y=0.90665000 Z=0.91417000 -2: X=0.32457000 Y=0.40665000 Z=0.08583000 -2: X=0.67543000 Y=0.59335000 Z=0.91417000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.88666000 Y=0.34151000 Z=0.04175000 MULT= 4 ISPLIT= 8 -3: X=0.11334000 Y=0.65849000 Z=0.95825000 -3: X=0.11334000 Y=0.15849000 Z=0.04175000 -3: X=0.88666000 Y=0.84151000 Z=0.95825000 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 -4: X=0.92437000 Y=0.16588000 Z=0.30006000 MULT= 4 ISPLIT= 8 -4: X=0.07563000 Y=0.83412000 Z=0.69994000 -4: X=0.07563000 Y=0.33412000 Z=0.30006000 -4: X=0.92437000 Y=0.66588000 Z=0.69994000 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