P   LATTICE,NONEQUIV.ATOMS   7  137 P42/nmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 13.014166 13.014166 13.273625 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.75000000 Y=0.25000000 Z=0.75000000
          MULT= 2          ISPLIT=-2
      -1: X=0.25000000 Y=0.75000000 Z=0.25000000
Ca         NPT=  781  R0=.000050000 RMT= 2.16        Z:  20.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.75000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -2: X=0.25000000 Y=0.75000000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.16        Z:  20.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.25090000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.75000000 Z=0.74910000
      -3: X=0.25000000 Y=0.25000000 Z=0.75090000
      -3: X=0.75000000 Y=0.75000000 Z=0.24910000
Ca         NPT=  781  R0=.000050000 RMT= 2.16        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -4: X=0.50000000 Y=0.00000000 Z=0.50000000
      -4: X=0.50000000 Y=0.00000000 Z=0.00000000
      -4: X=0.50000000 Y=0.50000000 Z=0.00000000
      -4: X=0.50000000 Y=0.50000000 Z=0.50000000
      -4: X=0.00000000 Y=0.50000000 Z=0.50000000
      -4: X=0.00000000 Y=0.50000000 Z=0.00000000
      -4: X=0.00000000 Y=0.00000000 Z=0.50000000
Si         NPT=  781  R0=.000100000 RMT= 1.51        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.49860000 Y=0.50140000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -5: X=0.50140000 Y=0.49860000 Z=0.75000000
      -5: X=0.99860000 Y=0.49860000 Z=0.75000000
      -5: X=0.00140000 Y=0.50140000 Z=0.25000000
      -5: X=0.00140000 Y=0.99860000 Z=0.25000000
      -5: X=0.99860000 Y=0.00140000 Z=0.75000000
      -5: X=0.50140000 Y=0.00140000 Z=0.75000000
      -5: X=0.49860000 Y=0.99860000 Z=0.25000000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.25000000 Y=0.03260000 Z=0.00130000
          MULT= 8          ISPLIT= 8
      -6: X=0.75000000 Y=0.96740000 Z=0.99870000
      -6: X=0.46740000 Y=0.25000000 Z=0.50130000
      -6: X=0.53260000 Y=0.75000000 Z=0.49870000
      -6: X=0.25000000 Y=0.46740000 Z=0.00130000
      -6: X=0.75000000 Y=0.53260000 Z=0.99870000
      -6: X=0.03260000 Y=0.25000000 Z=0.50130000
      -6: X=0.96740000 Y=0.75000000 Z=0.49870000
O          NPT=  781  R0=.000100000 RMT= 1.75        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  -7: X=0.25000000 Y=0.53250000 Z=0.49860000
          MULT= 8          ISPLIT= 8
      -7: X=0.75000000 Y=0.46750000 Z=0.50140000
      -7: X=0.96750000 Y=0.25000000 Z=0.99860000
      -7: X=0.03250000 Y=0.75000000 Z=0.00140000
      -7: X=0.25000000 Y=0.96750000 Z=0.49860000
      -7: X=0.75000000 Y=0.03250000 Z=0.50140000
      -7: X=0.53250000 Y=0.25000000 Z=0.99860000
      -7: X=0.46750000 Y=0.75000000 Z=0.00140000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000