F   LATTICE,NONEQUIV.ATOMS   2  225 Fm-3m   
MODE OF CALC=RELA unit=bohr
 14.384595 14.384595 14.384595 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.16600000 Z=0.16600000
          MULT=12          ISPLIT=15
      -2: X=0.50000000 Y=0.83400000 Z=0.83400000
      -2: X=0.83400000 Y=0.50000000 Z=0.16600000
      -2: X=0.16600000 Y=0.50000000 Z=0.83400000
      -2: X=0.16600000 Y=0.50000000 Z=0.16600000
      -2: X=0.83400000 Y=0.50000000 Z=0.83400000
      -2: X=0.50000000 Y=0.83400000 Z=0.16600000
      -2: X=0.50000000 Y=0.16600000 Z=0.83400000
      -2: X=0.16600000 Y=0.83400000 Z=0.50000000
      -2: X=0.83400000 Y=0.16600000 Z=0.50000000
      -2: X=0.16600000 Y=0.16600000 Z=0.50000000
      -2: X=0.83400000 Y=0.83400000 Z=0.50000000
B          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   5.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000