P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.438479 11.129542  8.982813 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
Li         NPT=  781  R0=.000100000 RMT= 1.78        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.41170000 Y=0.25000000 Z=0.07340000
          MULT= 4          ISPLIT= 8
      -2: X=0.58830000 Y=0.75000000 Z=0.92660000
      -2: X=0.91170000 Y=0.25000000 Z=0.42660000
      -2: X=0.08830000 Y=0.75000000 Z=0.57340000
Si         NPT=  781  R0=.000100000 RMT= 1.37        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.22650000 Y=0.25000000 Z=0.51320000
          MULT= 4          ISPLIT= 8
      -3: X=0.77350000 Y=0.75000000 Z=0.48680000
      -3: X=0.72650000 Y=0.25000000 Z=0.98680000
      -3: X=0.27350000 Y=0.75000000 Z=0.01320000
Sc         NPT=  781  R0=.000050000 RMT= 2.02        Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.40320000 Y=0.25000000 Z=0.74130000
          MULT= 4          ISPLIT= 8
      -4: X=0.59680000 Y=0.75000000 Z=0.25870000
      -4: X=0.90320000 Y=0.25000000 Z=0.75870000
      -4: X=0.09680000 Y=0.75000000 Z=0.24130000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.05550000 Y=0.25000000 Z=0.29270000
          MULT= 4          ISPLIT= 8
      -5: X=0.94450000 Y=0.75000000 Z=0.70730000
      -5: X=0.55550000 Y=0.25000000 Z=0.20730000
      -5: X=0.44450000 Y=0.75000000 Z=0.79270000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.33330000 Y=0.03820000 Z=0.22520000
          MULT= 8          ISPLIT= 8
      -6: X=0.66670000 Y=0.96180000 Z=0.77480000
      -6: X=0.83330000 Y=0.03820000 Z=0.27480000
      -6: X=0.16670000 Y=0.96180000 Z=0.72520000
      -6: X=0.16670000 Y=0.53820000 Z=0.72520000
      -6: X=0.83330000 Y=0.46180000 Z=0.27480000
      -6: X=0.66670000 Y=0.53820000 Z=0.77480000
      -6: X=0.33330000 Y=0.46180000 Z=0.22520000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000