P   LATTICE,NONEQUIV.ATOMS   4  116 P-4c2                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.788781  9.788781 18.991748 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.50000000 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 2.05        Z:  41.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.28        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.21000000 Y=0.21000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.21000000 Y=0.79000000 Z=0.75000000
      -3: X=0.79000000 Y=0.21000000 Z=0.75000000
      -3: X=0.79000000 Y=0.79000000 Z=0.25000000
F          NPT=  781  R0=.000100000 RMT= 1.95        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.22000000 Y=0.63000000 Z=0.11000000
          MULT= 8          ISPLIT= 8
      -4: X=0.63000000 Y=0.78000000 Z=0.89000000
      -4: X=0.78000000 Y=0.63000000 Z=0.61000000
      -4: X=0.78000000 Y=0.37000000 Z=0.11000000
      -4: X=0.63000000 Y=0.22000000 Z=0.39000000
      -4: X=0.37000000 Y=0.22000000 Z=0.89000000
      -4: X=0.22000000 Y=0.37000000 Z=0.61000000
      -4: X=0.37000000 Y=0.78000000 Z=0.39000000
F          NPT=  781  R0=.000100000 RMT= 1.95        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000