P   LATTICE,NONEQUIV.ATOMS   4   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.466729 11.941368  8.578790 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00040000 Y=0.25000000 Z=0.50020000
          MULT= 4          ISPLIT= 8
      -1: X=0.99960000 Y=0.75000000 Z=0.49980000
      -1: X=0.50040000 Y=0.25000000 Z=0.99980000
      -1: X=0.49960000 Y=0.75000000 Z=0.00020000
Ca         NPT=  781  R0=.000050000 RMT= 1.93        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  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
Si         NPT=  781  R0=.000100000 RMT= 1.38        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  -3: X=0.24930000 Y=0.52410000 Z=0.25070000
          MULT= 8          ISPLIT= 8
      -3: X=0.75070000 Y=0.47590000 Z=0.74930000
      -3: X=0.74930000 Y=0.52410000 Z=0.24930000
      -3: X=0.25070000 Y=0.47590000 Z=0.75070000
      -3: X=0.25070000 Y=0.02410000 Z=0.75070000
      -3: X=0.74930000 Y=0.97590000 Z=0.24930000
      -3: X=0.75070000 Y=0.02410000 Z=0.74930000
      -3: X=0.24930000 Y=0.97590000 Z=0.25070000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00010000 Y=0.25000000 Z=0.04700000
          MULT= 4          ISPLIT= 8
      -4: X=0.99990000 Y=0.75000000 Z=0.95300000
      -4: X=0.50010000 Y=0.25000000 Z=0.45300000
      -4: X=0.49990000 Y=0.75000000 Z=0.54700000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000