P   LATTICE,NONEQUIV.ATOMS   8   51 Pmma                                       
MODE OF CALC=RELA unit=bohr                                                    
 30.594666 13.058008 12.604473 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.50000000 Z=0.48380000
          MULT= 2          ISPLIT= 8
      -1: X=0.75000000 Y=0.50000000 Z=0.51620000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.21400000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.78600000 Z=0.00000000
      -2: X=0.50000000 Y=0.21400000 Z=0.00000000
      -2: X=0.50000000 Y=0.78600000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.38        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.64110000 Y=0.00000000 Z=0.12190000
          MULT= 4          ISPLIT= 8
      -3: X=0.35890000 Y=0.00000000 Z=0.87810000
      -3: X=0.14110000 Y=0.00000000 Z=0.87810000
      -3: X=0.85890000 Y=0.00000000 Z=0.12190000
Nb         NPT=  781  R0=.000010000 RMT= 2.38        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.57600000 Y=0.24990000 Z=0.31870000
          MULT= 8          ISPLIT= 8
      -4: X=0.42400000 Y=0.75010000 Z=0.68130000
      -4: X=0.07600000 Y=0.24990000 Z=0.68130000
      -4: X=0.92400000 Y=0.75010000 Z=0.31870000
      -4: X=0.92400000 Y=0.24990000 Z=0.31870000
      -4: X=0.07600000 Y=0.75010000 Z=0.68130000
      -4: X=0.42400000 Y=0.24990000 Z=0.68130000
      -4: X=0.57600000 Y=0.75010000 Z=0.31870000
Cl         NPT=  781  R0=.000100000 RMT= 2.15        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.08600000 Y=0.00000000 Z=0.21910000
          MULT= 4          ISPLIT= 8
      -5: X=0.91400000 Y=0.00000000 Z=0.78090000
      -5: X=0.58600000 Y=0.00000000 Z=0.78090000
      -5: X=0.41400000 Y=0.00000000 Z=0.21910000
Cl         NPT=  781  R0=.000100000 RMT= 2.15        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.08320000 Y=0.50000000 Z=0.14230000
          MULT= 4          ISPLIT= 8
      -6: X=0.91680000 Y=0.50000000 Z=0.85770000
      -6: X=0.58320000 Y=0.50000000 Z=0.85770000
      -6: X=0.41680000 Y=0.50000000 Z=0.14230000
Cl         NPT=  781  R0=.000100000 RMT= 2.15        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.25000000 Y=0.23290000 Z=0.01720000
          MULT= 4          ISPLIT= 8
      -7: X=0.75000000 Y=0.76710000 Z=0.98280000
      -7: X=0.75000000 Y=0.23290000 Z=0.98280000
      -7: X=0.25000000 Y=0.76710000 Z=0.01720000
Cl         NPT=  781  R0=.000100000 RMT= 2.15        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -8: X=0.25000000 Y=0.00000000 Z=0.58960000
          MULT= 2          ISPLIT= 8
      -8: X=0.75000000 Y=0.00000000 Z=0.41040000
Cl         NPT=  781  R0=.000100000 RMT= 2.15        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000