P LATTICE,NONEQUIV.ATOMS 8 11 P21/m MODE OF CALC=RELA unit=bohr 13.089377 12.439122 10.234379 90.000000 90.000000112.525000 ATOM -1: X=0.37220000 Y=0.15970000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.62780000 Y=0.84030000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.20 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.89850000 Y=0.63420000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.10150000 Y=0.36580000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.20 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.33510000 Y=0.65470000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.66490000 Y=0.34530000 Z=0.75000000 Si NPT= 781 R0=.000100000 RMT= 1.40 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.00000000 Z=0.50000000 F NPT= 781 R0=.000100000 RMT= 2.13 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.15800000 Y=0.40500000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.84200000 Y=0.59500000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.63 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 -6: X=0.28830000 Y=0.77480000 Z=0.00900000 MULT= 4 ISPLIT= 8 -6: X=0.71170000 Y=0.22520000 Z=0.99100000 -6: X=0.71170000 Y=0.22520000 Z=0.50900000 -6: X=0.28830000 Y=0.77480000 Z=0.49100000 O NPT= 781 R0=.000100000 RMT= 1.63 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=0.57200000 Y=0.66500000 Z=0.25000000 MULT= 2 ISPLIT= 8 -7: X=0.42800000 Y=0.33500000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.63 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=0.87500000 Y=0.14100000 Z=0.25000000 MULT= 2 ISPLIT= 8 -8: X=0.12500000 Y=0.85900000 Z=0.75000000 Li NPT= 781 R0=.000100000 RMT= 1.66 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000