P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.186287 12.762076  9.588281 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
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  -2: X=0.22040000 Y=0.25000000 Z=0.51100000
          MULT= 4          ISPLIT= 8
      -2: X=0.77960000 Y=0.75000000 Z=0.48900000
      -2: X=0.72040000 Y=0.25000000 Z=0.98900000
      -2: X=0.27960000 Y=0.75000000 Z=0.01100000
Ca         NPT=  781  R0=.000050000 RMT= 2.16        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.40090000 Y=0.25000000 Z=0.07030000
          MULT= 4          ISPLIT= 8
      -3: X=0.59910000 Y=0.75000000 Z=0.92970000
      -3: X=0.90090000 Y=0.25000000 Z=0.42970000
      -3: X=0.09910000 Y=0.75000000 Z=0.57030000
Si         NPT=  781  R0=.000100000 RMT= 1.37        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.40980000 Y=0.25000000 Z=0.75900000
          MULT= 4          ISPLIT= 8
      -4: X=0.59020000 Y=0.75000000 Z=0.24100000
      -4: X=0.90980000 Y=0.25000000 Z=0.74100000
      -4: X=0.09020000 Y=0.75000000 Z=0.25900000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.03810000 Y=0.25000000 Z=0.29500000
          MULT= 4          ISPLIT= 8
      -5: X=0.96190000 Y=0.75000000 Z=0.70500000
      -5: X=0.53810000 Y=0.25000000 Z=0.20500000
      -5: X=0.46190000 Y=0.75000000 Z=0.79500000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.33960000 Y=0.05960000 Z=0.20000000
          MULT= 8          ISPLIT= 8
      -6: X=0.66040000 Y=0.94040000 Z=0.80000000
      -6: X=0.83960000 Y=0.05960000 Z=0.30000000
      -6: X=0.16040000 Y=0.94040000 Z=0.70000000
      -6: X=0.16040000 Y=0.55960000 Z=0.70000000
      -6: X=0.83960000 Y=0.44040000 Z=0.30000000
      -6: X=0.66040000 Y=0.55960000 Z=0.80000000
      -6: X=0.33960000 Y=0.44040000 Z=0.20000000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000