CXZ LATTICE,NONEQUIV.ATOMS 10 12 B2/m MODE OF CALC=RELA unit=bohr 49.034614 25.055879 8.227868 90.000000 90.000000 75.520000 ATOM -1: X=0.79029000 Y=0.12764000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.20971000 Y=0.87236000 Z=0.00000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.37183000 Y=0.13544000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.62817000 Y=0.86456000 Z=0.00000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.65959000 Y=0.62824000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.34041000 Y=0.37176000 Z=0.00000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.92083000 Y=0.38239000 Z=0.00000000 MULT= 2 ISPLIT= 8 -4: X=0.07917000 Y=0.61761000 Z=0.00000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.88526000 Y=0.61969000 Z=0.00000000 MULT= 2 ISPLIT= 8 -5: X=0.11474000 Y=0.38031000 Z=0.00000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.53477000 Y=0.36859000 Z=0.00000000 MULT= 2 ISPLIT= 8 -6: X=0.46523000 Y=0.63141000 Z=0.00000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.56542000 Y=0.12992000 Z=0.00000000 MULT= 2 ISPLIT= 8 -7: X=0.43458000 Y=0.87008000 Z=0.00000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.98556000 Y=0.11919000 Z=0.00000000 MULT= 2 ISPLIT= 8 -8: X=0.01444000 Y=0.88081000 Z=0.00000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.73017000 Y=0.36596000 Z=0.00000000 MULT= 2 ISPLIT= 8 -9: X=0.26983000 Y=0.63404000 Z=0.00000000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.18019000 Y=0.11387000 Z=0.00000000 MULT= 2 ISPLIT= 8 -10: X=0.81981000 Y=0.88613000 Z=0.00000000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000