F LATTICE,NONEQUIV.ATOMS 5 69 Fmmm MODE OF CALC=RELA unit=bohr 15.713073 16.338572 27.195049 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.24885000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.75115000 Z=0.00000000 Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000 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 Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.00000000 Z=0.33332000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.00000000 Z=0.66668000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 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=0.16180000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.00000000 Z=0.83820000 Si NPT= 781 R0=.000100000 RMT= 1.97 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 -5: X=0.24403000 Y=0.00000000 Z=0.08070000 MULT= 4 ISPLIT= 8 -5: X=0.75597000 Y=0.00000000 Z=0.91930000 -5: X=0.24403000 Y=0.00000000 Z=0.91930000 -5: X=0.75597000 Y=0.00000000 Z=0.08070000 Si NPT= 781 R0=.000100000 RMT= 1.97 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000