F LATTICE,NONEQUIV.ATOMS 5 69 Fmmm MODE OF CALC=RELA unit=bohr 16.503356 17.000732 28.430930 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.24651000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.75349000 Z=0.00000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.25000000 Y=0.25000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.75000000 Y=0.75000000 Z=0.75000000 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=0.24916000 Y=0.00000000 Z=0.08208000 MULT= 4 ISPLIT= 8 -3: X=0.75084000 Y=0.00000000 Z=0.91792000 -3: X=0.24916000 Y=0.00000000 Z=0.91792000 -3: X=0.75084000 Y=0.00000000 Z=0.08208000 Ge NPT= 781 R0=.000050000 RMT= 2.32 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.00000000 Z=0.16536000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.00000000 Z=0.83464000 Ge NPT= 781 R0=.000050000 RMT= 2.32 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.00000000 Y=0.00000000 Z=0.33360000 MULT= 2 ISPLIT= 8 -5: X=0.00000000 Y=0.00000000 Z=0.66640000 Li NPT= 781 R0=.000100000 RMT= 2.02 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000