CXZ LATTICE,NONEQUIV.ATOMS 6 12 B2/m MODE OF CALC=RELA unit=bohr 28.653917 19.018204 6.996900 90.000000 90.000000 89.500000 ATOM -1: X=0.27850000 Y=0.13110000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.72150000 Y=0.86890000 Z=0.00000000 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=0.41660000 Y=0.41390000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.58340000 Y=0.58610000 Z=0.00000000 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=0.90860000 Y=0.65620000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.09140000 Y=0.34380000 Z=0.00000000 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=0.76100000 Y=0.38100000 Z=0.00000000 MULT= 2 ISPLIT= 8 -4: X=0.23900000 Y=0.61900000 Z=0.00000000 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 -5: X=0.62010000 Y=0.12500000 Z=0.00000000 MULT= 2 ISPLIT= 8 -5: X=0.37990000 Y=0.87500000 Z=0.00000000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.92880000 Y=0.18660000 Z=0.00000000 MULT= 2 ISPLIT= 8 -6: X=0.07120000 Y=0.81340000 Z=0.00000000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000