P   LATTICE,NONEQUIV.ATOMS   6  198 P213                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.135151 14.135151 14.135151 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.75000000 Y=0.75000000 Z=0.75000000
          MULT= 4          ISPLIT= 4
      -1: X=0.75000000 Y=0.25000000 Z=0.25000000
      -1: X=0.25000000 Y=0.75000000 Z=0.25000000
      -1: X=0.25000000 Y=0.25000000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.24        Z:  11.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.24        Z:  11.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.24300000 Y=0.24300000 Z=0.24300000
          MULT= 4          ISPLIT= 4
      -3: X=0.25700000 Y=0.75700000 Z=0.74300000
      -3: X=0.74300000 Y=0.25700000 Z=0.75700000
      -3: X=0.75700000 Y=0.74300000 Z=0.25700000
Ca         NPT=  781  R0=.000050000 RMT= 1.70        Z:  20.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.50300000 Y=0.50300000 Z=0.50300000
          MULT= 4          ISPLIT= 4
      -4: X=0.99700000 Y=0.49700000 Z=0.00300000
      -4: X=0.00300000 Y=0.99700000 Z=0.49700000
      -4: X=0.49700000 Y=0.00300000 Z=0.99700000
Si         NPT=  781  R0=.000100000 RMT= 1.35        Z:  14.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -5: X=0.38300000 Y=0.38300000 Z=0.38300000
          MULT= 4          ISPLIT= 4
      -5: X=0.11700000 Y=0.61700000 Z=0.88300000
      -5: X=0.88300000 Y=0.11700000 Z=0.61700000
      -5: X=0.61700000 Y=0.88300000 Z=0.11700000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -6: X=0.02800000 Y=0.08300000 Z=0.30600000
          MULT=12          ISPLIT= 8
      -6: X=0.47200000 Y=0.91700000 Z=0.80600000
      -6: X=0.52800000 Y=0.41700000 Z=0.69400000
      -6: X=0.30600000 Y=0.02800000 Z=0.08300000
      -6: X=0.97200000 Y=0.58300000 Z=0.19400000
      -6: X=0.19400000 Y=0.97200000 Z=0.58300000
      -6: X=0.80600000 Y=0.47200000 Z=0.91700000
      -6: X=0.69400000 Y=0.52800000 Z=0.41700000
      -6: X=0.08300000 Y=0.30600000 Z=0.02800000
      -6: X=0.41700000 Y=0.69400000 Z=0.52800000
      -6: X=0.58300000 Y=0.19400000 Z=0.97200000
      -6: X=0.91700000 Y=0.80600000 Z=0.47200000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000