P   LATTICE,NONEQUIV.ATOMS   2   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.697405 13.379261 11.924172 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.09000000 Y=0.04830000 Z=0.03270000
          MULT= 8          ISPLIT= 8
      -1: X=0.91000000 Y=0.95170000 Z=0.96730000
      -1: X=0.59000000 Y=0.04830000 Z=0.46730000
      -1: X=0.41000000 Y=0.95170000 Z=0.53270000
      -1: X=0.41000000 Y=0.54830000 Z=0.03270000
      -1: X=0.59000000 Y=0.45170000 Z=0.96730000
      -1: X=0.91000000 Y=0.54830000 Z=0.46730000
      -1: X=0.09000000 Y=0.45170000 Z=0.53270000
C          NPT=  781  R0=.000100000 RMT= 1.03        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.23860000 Y=0.12710000 Z=0.08570000
          MULT= 8          ISPLIT= 8
      -2: X=0.76140000 Y=0.87290000 Z=0.91430000
      -2: X=0.73860000 Y=0.12710000 Z=0.41430000
      -2: X=0.26140000 Y=0.87290000 Z=0.58570000
      -2: X=0.26140000 Y=0.62710000 Z=0.08570000
      -2: X=0.73860000 Y=0.37290000 Z=0.91430000
      -2: X=0.76140000 Y=0.62710000 Z=0.41430000
      -2: X=0.23860000 Y=0.37290000 Z=0.58570000
N          NPT=  781  R0=.000100000 RMT= 1.08        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000