P LATTICE,NONEQUIV.ATOMS 6 58 Pnnm MODE OF CALC=RELA unit=bohr 18.855876 28.325105 7.276579 90.000000 90.000000 90.000000 ATOM -1: X=0.02810000 Y=0.25080000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.97190000 Y=0.74920000 Z=0.00000000 -1: X=0.47190000 Y=0.75080000 Z=0.50000000 -1: X=0.52810000 Y=0.24920000 Z=0.50000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.17010000 Y=0.50760000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.82990000 Y=0.49240000 Z=0.00000000 -2: X=0.32990000 Y=0.00760000 Z=0.50000000 -2: X=0.67010000 Y=0.99240000 Z=0.50000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.11460000 Y=0.05840000 Z=0.00000000 MULT= 4 ISPLIT= 8 -3: X=0.88540000 Y=0.94160000 Z=0.00000000 -3: X=0.38540000 Y=0.55840000 Z=0.50000000 -3: X=0.61460000 Y=0.44160000 Z=0.50000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.33950000 Y=0.34220000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.66050000 Y=0.65780000 Z=0.00000000 -4: X=0.16050000 Y=0.84220000 Z=0.50000000 -4: X=0.83950000 Y=0.15780000 Z=0.50000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.26470000 Y=0.69890000 Z=0.00000000 MULT= 4 ISPLIT= 8 -5: X=0.73530000 Y=0.30110000 Z=0.00000000 -5: X=0.23530000 Y=0.19890000 Z=0.50000000 -5: X=0.76470000 Y=0.80110000 Z=0.50000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.51270000 Y=0.10320000 Z=0.00000000 MULT= 4 ISPLIT= 8 -6: X=0.48730000 Y=0.89680000 Z=0.00000000 -6: X=0.98730000 Y=0.60320000 Z=0.50000000 -6: X=0.01270000 Y=0.39680000 Z=0.50000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000