CXZ LATTICE,NONEQUIV.ATOMS 5 12 B2/m MODE OF CALC=RELA unit=bohr 27.322038 23.100012 6.604593 90.000000 90.000000 56.743000 ATOM -1: X=0.91688000 Y=0.14339000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.08312000 Y=0.85661000 Z=0.00000000 Ta NPT= 781 R0=.000005000 RMT= 2.50000 Z: 73.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.73010000 Y=0.61088000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.26990000 Y=0.38912000 Z=0.00000000 Ta NPT= 781 R0=.000005000 RMT= 2.50000 Z: 73.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.93128000 Y=0.36133000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.06872000 Y=0.63867000 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 -4: X=0.68734000 Y=0.28696000 Z=0.00000000 MULT= 2 ISPLIT= 8 -4: X=0.31266000 Y=0.71304000 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 -5: X=0.60522000 Y=0.02767000 Z=0.00000000 MULT= 2 ISPLIT= 8 -5: X=0.39478000 Y=0.97233000 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