P   LATTICE,NONEQUIV.ATOMS   6  128 P4/mnc  
MODE OF CALC=RELA unit=bohr
 20.560220 20.560220 10.455855 90.000000 90.000000 90.000000
ATOM  -1: X=0.26300000 Y=0.42700000 Z=0.00000000
          MULT= 8          ISPLIT=15
      -1: X=0.73700000 Y=0.57300000 Z=0.00000000
      -1: X=0.57300000 Y=0.26300000 Z=0.00000000
      -1: X=0.42700000 Y=0.73700000 Z=0.00000000
      -1: X=0.23700000 Y=0.92700000 Z=0.50000000
      -1: X=0.76300000 Y=0.07300000 Z=0.50000000
      -1: X=0.07300000 Y=0.23700000 Z=0.50000000
      -1: X=0.92700000 Y=0.76300000 Z=0.50000000
Y          NPT=  781  R0=.000010000 RMT=   2.00000   Z:  39.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.14600000 Y=0.12500000 Z=0.00000000
          MULT= 8          ISPLIT=15
      -2: X=0.85400000 Y=0.87500000 Z=0.00000000
      -2: X=0.87500000 Y=0.14600000 Z=0.00000000
      -2: X=0.12500000 Y=0.85400000 Z=0.00000000
      -2: X=0.35400000 Y=0.62500000 Z=0.50000000
      -2: X=0.64600000 Y=0.37500000 Z=0.50000000
      -2: X=0.37500000 Y=0.35400000 Z=0.50000000
      -2: X=0.62500000 Y=0.64600000 Z=0.50000000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -3: X=0.00000000 Y=0.50000000 Z=0.75000000
      -3: X=0.50000000 Y=0.00000000 Z=0.25000000
      -3: X=0.50000000 Y=0.00000000 Z=0.75000000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.17300000 Y=0.67300000 Z=0.25000000
          MULT= 8          ISPLIT=15
      -4: X=0.82700000 Y=0.32700000 Z=0.75000000
      -4: X=0.32700000 Y=0.17300000 Z=0.25000000
      -4: X=0.67300000 Y=0.82700000 Z=0.75000000
      -4: X=0.32700000 Y=0.17300000 Z=0.75000000
      -4: X=0.67300000 Y=0.82700000 Z=0.25000000
      -4: X=0.82700000 Y=0.32700000 Z=0.25000000
      -4: X=0.17300000 Y=0.67300000 Z=0.75000000
Si         NPT=  781  R0=.000100000 RMT=   2.00000   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=0.00000000 Y=0.00000000 Z=0.23000000
          MULT= 4          ISPLIT=15
      -5: X=0.00000000 Y=0.00000000 Z=0.77000000
      -5: X=0.50000000 Y=0.50000000 Z=0.73000000
      -5: X=0.50000000 Y=0.50000000 Z=0.27000000
Si         NPT=  781  R0=.000100000 RMT=   2.00000   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  -6: X=0.02200000 Y=0.32000000 Z=0.00000000
          MULT= 8          ISPLIT=15
      -6: X=0.97800000 Y=0.68000000 Z=0.00000000
      -6: X=0.68000000 Y=0.02200000 Z=0.00000000
      -6: X=0.32000000 Y=0.97800000 Z=0.00000000
      -6: X=0.47800000 Y=0.82000000 Z=0.50000000
      -6: X=0.52200000 Y=0.18000000 Z=0.50000000
      -6: X=0.18000000 Y=0.47800000 Z=0.50000000
      -6: X=0.82000000 Y=0.52200000 Z=0.50000000
Si         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  14.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000