P LATTICE,NONEQUIV.ATOMS 5 92 P41212 MODE OF CALC=RELA unit=bohr 13.301782 13.301782 24.245186 90.000000 90.000000 90.000000 ATOM -1: X=0.17300000 Y=0.17300000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.32700000 Y=0.67300000 Z=0.25000000 -1: X=0.67300000 Y=0.32700000 Z=0.75000000 -1: X=0.82700000 Y=0.82700000 Z=0.50000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.35000000 Z=0.21500000 MULT= 8 ISPLIT= 8 -2: X=0.15000000 Y=0.50000000 Z=0.46500000 -2: X=0.50000000 Y=0.15000000 Z=0.53500000 -2: X=0.00000000 Y=0.65000000 Z=0.71500000 -2: X=0.35000000 Y=0.00000000 Z=0.78500000 -2: X=0.85000000 Y=0.50000000 Z=0.96500000 -2: X=0.50000000 Y=0.85000000 Z=0.03500000 -2: X=0.65000000 Y=0.00000000 Z=0.28500000 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=0.14500000 Y=0.00000000 Z=0.37500000 MULT= 8 ISPLIT= 8 -3: X=0.50000000 Y=0.64500000 Z=0.62500000 -3: X=0.64500000 Y=0.50000000 Z=0.37500000 -3: X=0.85500000 Y=0.00000000 Z=0.87500000 -3: X=0.00000000 Y=0.14500000 Z=0.62500000 -3: X=0.50000000 Y=0.35500000 Z=0.12500000 -3: X=0.35500000 Y=0.50000000 Z=0.87500000 -3: X=0.00000000 Y=0.85500000 Z=0.12500000 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 -4: X=0.29200000 Y=0.05000000 Z=0.18300000 MULT= 8 ISPLIT= 8 -4: X=0.45000000 Y=0.79200000 Z=0.43300000 -4: X=0.79200000 Y=0.45000000 Z=0.56700000 -4: X=0.70800000 Y=0.95000000 Z=0.68300000 -4: X=0.05000000 Y=0.29200000 Z=0.81700000 -4: X=0.55000000 Y=0.20800000 Z=0.93300000 -4: X=0.20800000 Y=0.55000000 Z=0.06700000 -4: X=0.95000000 Y=0.70800000 Z=0.31700000 Si NPT= 781 R0=.000100000 RMT= 2.06 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 -5: X=0.35800000 Y=0.29200000 Z=0.31700000 MULT= 8 ISPLIT= 8 -5: X=0.20800000 Y=0.85800000 Z=0.56700000 -5: X=0.85800000 Y=0.20800000 Z=0.43300000 -5: X=0.64200000 Y=0.70800000 Z=0.81700000 -5: X=0.29200000 Y=0.35800000 Z=0.68300000 -5: X=0.79200000 Y=0.14200000 Z=0.06700000 -5: X=0.14200000 Y=0.79200000 Z=0.93300000 -5: X=0.70800000 Y=0.64200000 Z=0.18300000 Si NPT= 781 R0=.000100000 RMT= 2.06 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000