P   LATTICE,NONEQUIV.ATOMS   4  137 P42/nmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 12.910987 12.910987 16.703667 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.50422000 Z=0.07840000
          MULT= 8          ISPLIT= 8
      -1: X=0.75000000 Y=0.49578000 Z=0.92160000
      -1: X=0.99578000 Y=0.25000000 Z=0.57840000
      -1: X=0.00422000 Y=0.75000000 Z=0.42160000
      -1: X=0.25000000 Y=0.99578000 Z=0.07840000
      -1: X=0.75000000 Y=0.00422000 Z=0.92160000
      -1: X=0.50422000 Y=0.25000000 Z=0.57840000
      -1: X=0.49578000 Y=0.75000000 Z=0.42160000
Li         NPT=  781  R0=.000100000 RMT= 2.14        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.50949000 Y=0.49051000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -2: X=0.49051000 Y=0.50949000 Z=0.75000000
      -2: X=0.00949000 Y=0.50949000 Z=0.75000000
      -2: X=0.99051000 Y=0.49051000 Z=0.25000000
      -2: X=0.99051000 Y=0.00949000 Z=0.25000000
      -2: X=0.00949000 Y=0.99051000 Z=0.75000000
      -2: X=0.49051000 Y=0.99051000 Z=0.75000000
      -2: X=0.50949000 Y=0.00949000 Z=0.25000000
B          NPT=  781  R0=.000100000 RMT= 1.93        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.06895000 Z=0.36323000
          MULT= 8          ISPLIT= 8
      -3: X=0.75000000 Y=0.93105000 Z=0.63677000
      -3: X=0.43105000 Y=0.25000000 Z=0.86323000
      -3: X=0.56895000 Y=0.75000000 Z=0.13677000
      -3: X=0.25000000 Y=0.43105000 Z=0.36323000
      -3: X=0.75000000 Y=0.56895000 Z=0.63677000
      -3: X=0.06895000 Y=0.25000000 Z=0.86323000
      -3: X=0.93105000 Y=0.75000000 Z=0.13677000
Si         NPT=  781  R0=.000100000 RMT= 1.93        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.25000000 Y=0.56651000 Z=0.61812000
          MULT= 8          ISPLIT= 8
      -4: X=0.75000000 Y=0.43349000 Z=0.38188000
      -4: X=0.93349000 Y=0.25000000 Z=0.11812000
      -4: X=0.06651000 Y=0.75000000 Z=0.88188000
      -4: X=0.25000000 Y=0.93349000 Z=0.61812000
      -4: X=0.75000000 Y=0.06651000 Z=0.38188000
      -4: X=0.56651000 Y=0.25000000 Z=0.11812000
      -4: X=0.43349000 Y=0.75000000 Z=0.88188000
Si         NPT=  781  R0=.000100000 RMT= 1.93        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000