P LATTICE,NONEQUIV.ATOMS 8 208 P4232 MODE OF CALC=RELA unit=bohr 18.033656 18.033656 18.033656 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.25000000 Z=0.25000000 MULT= 4 ISPLIT=15 -1: X=0.25000000 Y=0.75000000 Z=0.75000000 -1: X=0.75000000 Y=0.75000000 Z=0.25000000 -1: X=0.75000000 Y=0.25000000 Z=0.75000000 U NPT= 781 R0=.000005000 RMT= 2.00000 Z: 92.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.25000000 Y=0.50000000 Z=0.00000000 MULT= 6 ISPLIT=15 -2: X=0.00000000 Y=0.75000000 Z=0.50000000 -2: X=0.00000000 Y=0.25000000 Z=0.50000000 -2: X=0.75000000 Y=0.50000000 Z=0.00000000 -2: X=0.50000000 Y=0.00000000 Z=0.75000000 -2: X=0.50000000 Y=0.00000000 Z=0.25000000 U NPT= 781 R0=.000005000 RMT= 2.00000 Z: 92.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.75000000 Y=0.75000000 Z=0.75000000 MULT= 4 ISPLIT=15 -3: X=0.75000000 Y=0.25000000 Z=0.25000000 -3: X=0.25000000 Y=0.25000000 Z=0.75000000 -3: X=0.25000000 Y=0.75000000 Z=0.25000000 Na NPT= 781 R0=.000100000 RMT= 2.00000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.25000000 Y=0.00000000 Z=0.50000000 MULT= 6 ISPLIT=15 -4: X=0.50000000 Y=0.75000000 Z=0.00000000 -4: X=0.50000000 Y=0.25000000 Z=0.00000000 -4: X=0.75000000 Y=0.00000000 Z=0.50000000 -4: X=0.00000000 Y=0.50000000 Z=0.75000000 -4: X=0.00000000 Y=0.50000000 Z=0.25000000 Na NPT= 781 R0=.000100000 RMT= 2.00000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.25000000 Y=0.00000000 Z=0.00000000 MULT=12 ISPLIT=15 -5: X=0.50000000 Y=0.75000000 Z=0.50000000 -5: X=0.00000000 Y=0.25000000 Z=0.00000000 -5: X=0.75000000 Y=0.00000000 Z=0.00000000 -5: X=0.25000000 Y=0.50000000 Z=0.50000000 -5: X=0.50000000 Y=0.25000000 Z=0.50000000 -5: X=0.00000000 Y=0.75000000 Z=0.00000000 -5: X=0.75000000 Y=0.50000000 Z=0.50000000 -5: X=0.50000000 Y=0.50000000 Z=0.75000000 -5: X=0.00000000 Y=0.00000000 Z=0.25000000 -5: X=0.50000000 Y=0.50000000 Z=0.25000000 -5: X=0.00000000 Y=0.00000000 Z=0.75000000 Na NPT= 781 R0=.000100000 RMT= 2.00000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=15 -6: X=0.50000000 Y=0.50000000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.00000000 Y=0.50000000 Z=0.50000000 MULT= 6 ISPLIT=15 -7: X=0.00000000 Y=0.50000000 Z=0.00000000 -7: X=0.50000000 Y=0.00000000 Z=0.50000000 -7: X=0.50000000 Y=0.00000000 Z=0.00000000 -7: X=0.00000000 Y=0.00000000 Z=0.50000000 -7: X=0.50000000 Y=0.50000000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.00000000 Y=0.25000000 Z=0.25000000 MULT=24 ISPLIT=15 -8: X=0.25000000 Y=0.50000000 Z=0.75000000 -8: X=0.00000000 Y=0.75000000 Z=0.75000000 -8: X=0.25000000 Y=0.00000000 Z=0.25000000 -8: X=0.00000000 Y=0.75000000 Z=0.25000000 -8: X=0.75000000 Y=0.50000000 Z=0.25000000 -8: X=0.50000000 Y=0.75000000 Z=0.75000000 -8: X=0.75000000 Y=0.50000000 Z=0.75000000 -8: X=0.00000000 Y=0.25000000 Z=0.75000000 -8: X=0.75000000 Y=0.00000000 Z=0.25000000 -8: X=0.25000000 Y=0.50000000 Z=0.25000000 -8: X=0.50000000 Y=0.25000000 Z=0.75000000 -8: X=0.25000000 Y=0.00000000 Z=0.75000000 -8: X=0.50000000 Y=0.75000000 Z=0.25000000 -8: X=0.75000000 Y=0.00000000 Z=0.75000000 -8: X=0.50000000 Y=0.25000000 Z=0.25000000 -8: X=0.75000000 Y=0.25000000 Z=0.50000000 -8: X=0.25000000 Y=0.25000000 Z=0.00000000 -8: X=0.25000000 Y=0.75000000 Z=0.50000000 -8: X=0.75000000 Y=0.75000000 Z=0.00000000 -8: X=0.75000000 Y=0.75000000 Z=0.50000000 -8: X=0.75000000 Y=0.25000000 Z=0.00000000 -8: X=0.25000000 Y=0.25000000 Z=0.50000000 -8: X=0.25000000 Y=0.75000000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000