P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 13.998146 16.474632 20.288100 90.000000 90.000000 90.000000 ATOM -1: X=0.02780000 Y=0.25000000 Z=0.51000000 MULT= 4 ISPLIT= 8 -1: X=0.97220000 Y=0.75000000 Z=0.49000000 -1: X=0.52780000 Y=0.25000000 Z=0.99000000 -1: X=0.47220000 Y=0.75000000 Z=0.01000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.19260000 Y=0.25000000 Z=0.77600000 MULT= 4 ISPLIT= 8 -2: X=0.80740000 Y=0.75000000 Z=0.22400000 -2: X=0.69260000 Y=0.25000000 Z=0.72400000 -2: X=0.30740000 Y=0.75000000 Z=0.27600000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.19702000 Y=0.05713000 Z=0.05975000 MULT= 8 ISPLIT= 8 -3: X=0.80298000 Y=0.94287000 Z=0.94025000 -3: X=0.69702000 Y=0.05713000 Z=0.44025000 -3: X=0.30298000 Y=0.94287000 Z=0.55975000 -3: X=0.30298000 Y=0.55713000 Z=0.55975000 -3: X=0.69702000 Y=0.44287000 Z=0.44025000 -3: X=0.80298000 Y=0.55713000 Z=0.94025000 -3: X=0.19702000 Y=0.44287000 Z=0.05975000 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=0.35630000 Y=0.25000000 Z=0.28560000 MULT= 4 ISPLIT= 8 -4: X=0.64370000 Y=0.75000000 Z=0.71440000 -4: X=0.85630000 Y=0.25000000 Z=0.21440000 -4: X=0.14370000 Y=0.75000000 Z=0.78560000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.07250000 Y=0.00750000 Z=0.32530000 MULT= 8 ISPLIT= 8 -5: X=0.92750000 Y=0.99250000 Z=0.67470000 -5: X=0.57250000 Y=0.00750000 Z=0.17470000 -5: X=0.42750000 Y=0.99250000 Z=0.82530000 -5: X=0.42750000 Y=0.50750000 Z=0.82530000 -5: X=0.57250000 Y=0.49250000 Z=0.17470000 -5: X=0.92750000 Y=0.50750000 Z=0.67470000 -5: X=0.07250000 Y=0.49250000 Z=0.32530000 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=0.41780000 Y=0.25000000 Z=0.54440000 MULT= 4 ISPLIT= 8 -6: X=0.58220000 Y=0.75000000 Z=0.45560000 -6: X=0.91780000 Y=0.25000000 Z=0.95560000 -6: X=0.08220000 Y=0.75000000 Z=0.04440000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000