P   LATTICE,NONEQUIV.ATOMS   5  129 P4/nmm                                     
MODE OF CALC=RELA unit=bohr                                                    
 12.165868 12.165868  8.315362 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.57600000
          MULT= 2          ISPLIT=-2
      -1: X=0.75000000 Y=0.75000000 Z=0.42400000
Ti         NPT=  781  R0=.000050000 RMT= 1.63        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.00000000
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
Li         NPT=  781  R0=.000100000 RMT= 1.75        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.75000000 Y=0.25000000 Z=0.50000000
          MULT= 2          ISPLIT=-2
      -3: X=0.25000000 Y=0.75000000 Z=0.50000000
Si         NPT=  781  R0=.000100000 RMT= 1.42        Z:  14.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25000000 Y=0.54300000 Z=0.71300000
          MULT= 8          ISPLIT= 8
      -4: X=0.75000000 Y=0.45700000 Z=0.28700000
      -4: X=0.95700000 Y=0.25000000 Z=0.71300000
      -4: X=0.04300000 Y=0.75000000 Z=0.28700000
      -4: X=0.25000000 Y=0.95700000 Z=0.71300000
      -4: X=0.75000000 Y=0.04300000 Z=0.28700000
      -4: X=0.54300000 Y=0.25000000 Z=0.71300000
      -4: X=0.45700000 Y=0.75000000 Z=0.28700000
O          NPT=  781  R0=.000100000 RMT= 1.48        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.25000000 Y=0.25000000 Z=0.20000000
          MULT= 2          ISPLIT=-2
      -5: X=0.75000000 Y=0.75000000 Z=0.80000000
O          NPT=  781  R0=.000100000 RMT= 1.48        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000