H   LATTICE,NONEQUIV.ATOMS   4  163 P-31c                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.666413 11.666413 24.371798 90.000000 90.000000120.000000                   
ATOM  -1: X=0.66666667 Y=0.33333333 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.33333333 Y=0.66666667 Z=0.75000000
Ag         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  47.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.75000000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.16460000
          MULT= 4          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.83540000
      -3: X=0.66666667 Y=0.33333333 Z=0.66460000
      -3: X=0.33333333 Y=0.66666667 Z=0.33540000
P          NPT=  781  R0=.000100000 RMT= 1.86        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.03240000 Y=0.33770000 Z=0.12110000
          MULT=12          ISPLIT= 8
      -4: X=0.96760000 Y=0.66230000 Z=0.87890000
      -4: X=0.66230000 Y=0.69470000 Z=0.12110000
      -4: X=0.33770000 Y=0.30530000 Z=0.87890000
      -4: X=0.33770000 Y=0.03240000 Z=0.62110000
      -4: X=0.66230000 Y=0.96760000 Z=0.37890000
      -4: X=0.30530000 Y=0.96760000 Z=0.12110000
      -4: X=0.69470000 Y=0.03240000 Z=0.87890000
      -4: X=0.96760000 Y=0.30530000 Z=0.62110000
      -4: X=0.03240000 Y=0.69470000 Z=0.37890000
      -4: X=0.69470000 Y=0.66230000 Z=0.62110000
      -4: X=0.30530000 Y=0.33770000 Z=0.37890000
S          NPT=  781  R0=.000100000 RMT= 1.95        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000