P LATTICE,NONEQUIV.ATOMS 5 92 P41212 MODE OF CALC=RELA unit=bohr 16.198732 16.198732 8.760770 90.000000 90.000000 90.000000 ATOM -1: X=0.40200000 Y=0.40200000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.09800000 Y=0.90200000 Z=0.25000000 -1: X=0.90200000 Y=0.09800000 Z=0.75000000 -1: X=0.59800000 Y=0.59800000 Z=0.50000000 As NPT= 781 R0=.000050000 RMT= 1.64 Z: 33.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.78310000 Y=0.78310000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.71690000 Y=0.28310000 Z=0.25000000 -2: X=0.28310000 Y=0.71690000 Z=0.75000000 -2: X=0.21690000 Y=0.21690000 Z=0.50000000 As NPT= 781 R0=.000050000 RMT= 1.64 Z: 33.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.05340000 Y=0.05340000 Z=0.00000000 MULT= 4 ISPLIT= 8 -3: X=0.44660000 Y=0.55340000 Z=0.25000000 -3: X=0.55340000 Y=0.44660000 Z=0.75000000 -3: X=0.94660000 Y=0.94660000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.49 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.23990000 Y=0.34430000 Z=0.23230000 MULT= 8 ISPLIT= 8 -4: X=0.15570000 Y=0.73990000 Z=0.48230000 -4: X=0.73990000 Y=0.15570000 Z=0.51770000 -4: X=0.76010000 Y=0.65570000 Z=0.73230000 -4: X=0.34430000 Y=0.23990000 Z=0.76770000 -4: X=0.84430000 Y=0.26010000 Z=0.98230000 -4: X=0.26010000 Y=0.84430000 Z=0.01770000 -4: X=0.65570000 Y=0.76010000 Z=0.26770000 O NPT= 781 R0=.000100000 RMT= 1.49 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.24650000 Y=0.02500000 Z=0.41440000 MULT= 8 ISPLIT= 8 -5: X=0.47500000 Y=0.74650000 Z=0.66440000 -5: X=0.74650000 Y=0.47500000 Z=0.33560000 -5: X=0.75350000 Y=0.97500000 Z=0.91440000 -5: X=0.02500000 Y=0.24650000 Z=0.58560000 -5: X=0.52500000 Y=0.25350000 Z=0.16440000 -5: X=0.25350000 Y=0.52500000 Z=0.83560000 -5: X=0.97500000 Y=0.75350000 Z=0.08560000 O NPT= 781 R0=.000100000 RMT= 1.49 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000