F LATTICE,NONEQUIV.ATOMS 3 216 F-43m MODE OF CALC=RELA unit=bohr 19.004976 19.004976 19.004976 90.000000 90.000000 90.000000 ATOM -1: X=0.34650000 Y=0.34650000 Z=0.34650000 MULT= 4 ISPLIT=15 -1: X=0.34650000 Y=0.65350000 Z=0.65350000 -1: X=0.65350000 Y=0.65350000 Z=0.34650000 -1: X=0.65350000 Y=0.34650000 Z=0.65350000 Re NPT= 781 R0=.000005000 RMT= 2.00000 Z: 75.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.11600000 Y=0.11600000 Z=0.11600000 MULT= 4 ISPLIT=15 -2: X=0.11600000 Y=0.88400000 Z=0.88400000 -2: X=0.88400000 Y=0.88400000 Z=0.11600000 -2: X=0.88400000 Y=0.11600000 Z=0.88400000 S NPT= 781 R0=.000100000 RMT= 2.00000 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.62400000 Y=0.62400000 Z=0.62400000 MULT= 4 ISPLIT=15 -3: X=0.62400000 Y=0.37600000 Z=0.37600000 -3: X=0.37600000 Y=0.37600000 Z=0.62400000 -3: X=0.37600000 Y=0.62400000 Z=0.37600000 Te NPT= 781 R0=.000010000 RMT= 2.00000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000