P LATTICE,NONEQUIV.ATOMS 6 92 P41212 MODE OF CALC=RELA unit=bohr 22.041766 22.041766 20.186055 90.000000 90.000000 90.000000 ATOM -1: X=0.12700000 Y=0.12700000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.37300000 Y=0.62700000 Z=0.25000000 -1: X=0.62700000 Y=0.37300000 Z=0.75000000 -1: X=0.87300000 Y=0.87300000 Z=0.50000000 Pt NPT= 781 R0=.000005000 RMT= 2.47 Z: 78.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.37310000 Y=0.12540000 Z=0.24510000 MULT= 8 ISPLIT= 8 -2: X=0.37460000 Y=0.87310000 Z=0.49510000 -2: X=0.87310000 Y=0.37460000 Z=0.50490000 -2: X=0.62690000 Y=0.87460000 Z=0.74510000 -2: X=0.12540000 Y=0.37310000 Z=0.75490000 -2: X=0.62540000 Y=0.12690000 Z=0.99510000 -2: X=0.12690000 Y=0.62540000 Z=0.00490000 -2: X=0.87460000 Y=0.62690000 Z=0.25490000 Pt NPT= 781 R0=.000005000 RMT= 2.47 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.38060000 Y=0.10500000 Z=0.48430000 MULT= 8 ISPLIT= 8 -3: X=0.39500000 Y=0.88060000 Z=0.73430000 -3: X=0.88060000 Y=0.39500000 Z=0.26570000 -3: X=0.61940000 Y=0.89500000 Z=0.98430000 -3: X=0.10500000 Y=0.38060000 Z=0.51570000 -3: X=0.60500000 Y=0.11940000 Z=0.23430000 -3: X=0.11940000 Y=0.60500000 Z=0.76570000 -3: X=0.89500000 Y=0.61940000 Z=0.01570000 I NPT= 781 R0=.000010000 RMT= 2.35 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.14860000 Y=0.12480000 Z=0.24650000 MULT= 8 ISPLIT= 8 -4: X=0.37520000 Y=0.64860000 Z=0.49650000 -4: X=0.64860000 Y=0.37520000 Z=0.50350000 -4: X=0.85140000 Y=0.87520000 Z=0.74650000 -4: X=0.12480000 Y=0.14860000 Z=0.75350000 -4: X=0.62480000 Y=0.35140000 Z=0.99650000 -4: X=0.35140000 Y=0.62480000 Z=0.00350000 -4: X=0.87520000 Y=0.85140000 Z=0.25350000 I NPT= 781 R0=.000010000 RMT= 2.35 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.37490000 Y=0.39780000 Z=0.26680000 MULT= 8 ISPLIT= 8 -5: X=0.10220000 Y=0.87490000 Z=0.51680000 -5: X=0.87490000 Y=0.10220000 Z=0.48320000 -5: X=0.62510000 Y=0.60220000 Z=0.76680000 -5: X=0.39780000 Y=0.37490000 Z=0.73320000 -5: X=0.89780000 Y=0.12510000 Z=0.01680000 -5: X=0.12510000 Y=0.89780000 Z=0.98320000 -5: X=0.60220000 Y=0.62510000 Z=0.23320000 I NPT= 781 R0=.000010000 RMT= 2.35 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.36270000 Y=0.12830000 Z=0.00250000 MULT= 8 ISPLIT= 8 -6: X=0.37170000 Y=0.86270000 Z=0.25250000 -6: X=0.86270000 Y=0.37170000 Z=0.74750000 -6: X=0.63730000 Y=0.87170000 Z=0.50250000 -6: X=0.12830000 Y=0.36270000 Z=0.99750000 -6: X=0.62830000 Y=0.13730000 Z=0.75250000 -6: X=0.13730000 Y=0.62830000 Z=0.24750000 -6: X=0.87170000 Y=0.63730000 Z=0.49750000 I NPT= 781 R0=.000010000 RMT= 2.35 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000