P LATTICE,NONEQUIV.ATOMS 2 92 P41212 MODE OF CALC=RELA unit=bohr 9.417639 9.417639 13.142856 90.000000 90.000000 90.000000 ATOM -1: X=0.30570000 Y=0.30570000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.19430000 Y=0.80570000 Z=0.25000000 -1: X=0.80570000 Y=0.19430000 Z=0.75000000 -1: X=0.69430000 Y=0.69430000 Z=0.50000000 Si NPT= 781 R0=.000100000 RMT= 1.33 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 -2: X=0.25130000 Y=0.09520000 Z=0.15610000 MULT= 8 ISPLIT= 8 -2: X=0.40480000 Y=0.75130000 Z=0.40610000 -2: X=0.75130000 Y=0.40480000 Z=0.59390000 -2: X=0.74870000 Y=0.90480000 Z=0.65610000 -2: X=0.09520000 Y=0.25130000 Z=0.84390000 -2: X=0.59520000 Y=0.24870000 Z=0.90610000 -2: X=0.24870000 Y=0.59520000 Z=0.09390000 -2: X=0.90480000 Y=0.74870000 Z=0.34390000 O NPT= 781 R0=.000100000 RMT= 1.55 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000