H LATTICE,NONEQUIV.ATOMS 2 180 P6222 MODE OF CALC=RELA unit=bohr 10.368927 10.368927 14.409162 90.000000 90.000000120.000000 ATOM -1: X=0.50000000 Y=0.00000000 Z=0.00000000 MULT= 3 ISPLIT= 8 -1: X=0.50000000 Y=0.50000000 Z=0.33333333 -1: X=0.00000000 Y=0.50000000 Z=0.66666669 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 0.8660254 0.5000000 0.0000000 -0.5000000 0.8660254 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.16500000 Y=0.33000000 Z=0.00000000 MULT= 6 ISPLIT= 8 -2: X=0.83500000 Y=0.16500000 Z=0.33333333 -2: X=0.67000000 Y=0.83500000 Z=0.66666669 -2: X=0.83500000 Y=0.67000000 Z=0.00000000 -2: X=0.16500000 Y=0.83500000 Z=0.33333333 -2: X=0.33000000 Y=0.16500000 Z=0.66666667 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 0.8660254 0.5000000 0.0000000-0.5000000 0.8660254 1.0000000 0.0000000 0.0000000