P   LATTICE,NONEQUIV.ATOMS   6  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 14.626480 14.626480 10.514436 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT= 2.35        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  -2: X=0.20500000 Y=0.70500000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -2: X=0.79500000 Y=0.29500000 Z=0.50000000
      -2: X=0.29500000 Y=0.20500000 Z=0.50000000
      -2: X=0.70500000 Y=0.79500000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.35        Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.00000000
Si         NPT=  781  R0=.000100000 RMT= 1.43        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=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT=-2
      -4: X=0.50000000 Y=0.50000000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.15500000 Y=0.65500000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.84500000 Y=0.34500000 Z=0.00000000
      -5: X=0.34500000 Y=0.15500000 Z=0.00000000
      -5: X=0.65500000 Y=0.84500000 Z=0.00000000
F          NPT=  781  R0=.000100000 RMT= 1.75        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  -6: X=0.61000000 Y=0.11000000 Z=0.21600000
          MULT= 8          ISPLIT= 8
      -6: X=0.39000000 Y=0.89000000 Z=0.78400000
      -6: X=0.89000000 Y=0.61000000 Z=0.21600000
      -6: X=0.11000000 Y=0.39000000 Z=0.78400000
      -6: X=0.39000000 Y=0.89000000 Z=0.21600000
      -6: X=0.61000000 Y=0.11000000 Z=0.78400000
      -6: X=0.11000000 Y=0.39000000 Z=0.21600000
      -6: X=0.89000000 Y=0.61000000 Z=0.78400000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000