F LATTICE,NONEQUIV.ATOMS 4 43 Fdd2 MODE OF CALC=RELA unit=bohr 28.043536 33.807201 11.281665 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.25000000 Y=0.25000000 Z=0.50000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 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=0.50200000 Y=0.16750000 Z=0.22230000 MULT= 4 ISPLIT= 8 -2: X=0.49800000 Y=0.83250000 Z=0.22230000 -2: X=0.74800000 Y=0.41750000 Z=0.47230000 -2: X=0.75200000 Y=0.08250000 Z=0.47230000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 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=0.16390000 Y=0.07950000 Z=0.48220000 MULT= 4 ISPLIT= 8 -3: X=0.83610000 Y=0.92050000 Z=0.48220000 -3: X=0.08610000 Y=0.32950000 Z=0.73220000 -3: X=0.41390000 Y=0.17050000 Z=0.73220000 As NPT= 781 R0=.000050000 RMT= 2.33 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.16420000 Y=0.24710000 Z=0.00510000 MULT= 4 ISPLIT= 8 -4: X=0.83580000 Y=0.75290000 Z=0.00510000 -4: X=0.08580000 Y=0.49710000 Z=0.25510000 -4: X=0.41420000 Y=0.00290000 Z=0.25510000 As NPT= 781 R0=.000050000 RMT= 2.33 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000