F LATTICE,NONEQUIV.ATOMS 4 43 Fdd2 MODE OF CALC=RELA unit=bohr 27.023084 32.828322 11.034111 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=0.00270000 Y=0.33200000 Z=0.24630000 MULT= 4 ISPLIT= 8 -2: X=0.99730000 Y=0.66800000 Z=0.24630000 -2: X=0.24730000 Y=0.58200000 Z=0.49630000 -2: X=0.25270000 Y=0.91800000 Z=0.49630000 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=0.15800000 Y=0.07690000 Z=0.51120000 MULT= 4 ISPLIT= 8 -3: X=0.84200000 Y=0.92310000 Z=0.51120000 -3: X=0.09200000 Y=0.32690000 Z=0.76120000 -3: X=0.40800000 Y=0.17310000 Z=0.76120000 P NPT= 781 R0=.000100000 RMT= 2.10 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.16880000 Y=0.25050000 Z=0.00410000 MULT= 4 ISPLIT= 8 -4: X=0.83120000 Y=0.74950000 Z=0.00410000 -4: X=0.08120000 Y=0.50050000 Z=0.25410000 -4: X=0.41880000 Y=0.99950000 Z=0.25410000 P NPT= 781 R0=.000100000 RMT= 2.10 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000