F LATTICE,NONEQUIV.ATOMS 4 70 Fddd MODE OF CALC=RELA unit=bohr 11.293003 26.641359 46.506160 90.000000 90.000000 90.000000 ATOM -1: X=0.12500000 Y=0.12500000 Z=0.30380000 MULT= 4 ISPLIT= 8 -1: X=0.87500000 Y=0.87500000 Z=0.69620000 -1: X=0.87500000 Y=0.37500000 Z=0.55380000 -1: X=0.12500000 Y=0.12500000 Z=0.94620000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.12500000 Y=0.12500000 Z=0.62500000 MULT= 2 ISPLIT= 8 -2: X=0.87500000 Y=0.87500000 Z=0.37500000 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 -3: X=0.12500000 Y=0.12500000 Z=0.12500000 MULT= 2 ISPLIT= 8 -3: X=0.87500000 Y=0.87500000 Z=0.87500000 Ta NPT= 781 R0=.000005000 RMT= 2.36 Z: 73.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.33830000 Y=0.02920000 Z=0.07087000 MULT= 8 ISPLIT= 8 -4: X=0.66170000 Y=0.97080000 Z=0.92913000 -4: X=0.58830000 Y=0.27920000 Z=0.92913000 -4: X=0.91170000 Y=0.22080000 Z=0.07087000 -4: X=0.66170000 Y=0.27920000 Z=0.32087000 -4: X=0.33830000 Y=0.22080000 Z=0.17913000 -4: X=0.91170000 Y=0.02920000 Z=0.17913000 -4: X=0.58830000 Y=0.97080000 Z=0.32087000 S NPT= 781 R0=.000100000 RMT= 1.93 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000