P   LATTICE,NONEQUIV.ATOMS   6   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.557900 23.181270 22.058773 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.28720000 Y=0.00990000 Z=0.38450000
          MULT= 8          ISPLIT= 8
      -1: X=0.71280000 Y=0.99010000 Z=0.61550000
      -1: X=0.78720000 Y=0.00990000 Z=0.11550000
      -1: X=0.21280000 Y=0.99010000 Z=0.88450000
      -1: X=0.21280000 Y=0.50990000 Z=0.38450000
      -1: X=0.78720000 Y=0.49010000 Z=0.61550000
      -1: X=0.71280000 Y=0.50990000 Z=0.11550000
      -1: X=0.28720000 Y=0.49010000 Z=0.88450000
Sb         NPT=  781  R0=.000010000 RMT= 1.93        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.19010000 Y=0.20800000 Z=0.14420000
          MULT= 8          ISPLIT= 8
      -2: X=0.80990000 Y=0.79200000 Z=0.85580000
      -2: X=0.69010000 Y=0.20800000 Z=0.35580000
      -2: X=0.30990000 Y=0.79200000 Z=0.64420000
      -2: X=0.30990000 Y=0.70800000 Z=0.14420000
      -2: X=0.69010000 Y=0.29200000 Z=0.85580000
      -2: X=0.80990000 Y=0.70800000 Z=0.35580000
      -2: X=0.19010000 Y=0.29200000 Z=0.64420000
Sb         NPT=  781  R0=.000010000 RMT= 1.93        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.07510000 Y=0.08170000 Z=0.05000000
          MULT= 8          ISPLIT= 8
      -3: X=0.92490000 Y=0.91830000 Z=0.95000000
      -3: X=0.57510000 Y=0.08170000 Z=0.45000000
      -3: X=0.42490000 Y=0.91830000 Z=0.55000000
      -3: X=0.42490000 Y=0.58170000 Z=0.05000000
      -3: X=0.57510000 Y=0.41830000 Z=0.95000000
      -3: X=0.92490000 Y=0.58170000 Z=0.45000000
      -3: X=0.07510000 Y=0.41830000 Z=0.55000000
O          NPT=  781  R0=.000100000 RMT= 1.73        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=0.37720000 Y=0.12410000 Z=0.26220000
          MULT= 8          ISPLIT= 8
      -4: X=0.62280000 Y=0.87590000 Z=0.73780000
      -4: X=0.87720000 Y=0.12410000 Z=0.23780000
      -4: X=0.12280000 Y=0.87590000 Z=0.76220000
      -4: X=0.12280000 Y=0.62410000 Z=0.26220000
      -4: X=0.87720000 Y=0.37590000 Z=0.73780000
      -4: X=0.62280000 Y=0.62410000 Z=0.23780000
      -4: X=0.37720000 Y=0.37590000 Z=0.76220000
O          NPT=  781  R0=.000100000 RMT= 1.73        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  -5: X=0.49150000 Y=0.18720000 Z=0.04830000
          MULT= 8          ISPLIT= 8
      -5: X=0.50850000 Y=0.81280000 Z=0.95170000
      -5: X=0.99150000 Y=0.18720000 Z=0.45170000
      -5: X=0.00850000 Y=0.81280000 Z=0.54830000
      -5: X=0.00850000 Y=0.68720000 Z=0.04830000
      -5: X=0.99150000 Y=0.31280000 Z=0.95170000
      -5: X=0.50850000 Y=0.68720000 Z=0.45170000
      -5: X=0.49150000 Y=0.31280000 Z=0.54830000
F          NPT=  781  R0=.000100000 RMT= 1.74        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00750000 Y=0.40700000 Z=0.30310000
          MULT= 8          ISPLIT= 8
      -6: X=0.99250000 Y=0.59300000 Z=0.69690000
      -6: X=0.50750000 Y=0.40700000 Z=0.19690000
      -6: X=0.49250000 Y=0.59300000 Z=0.80310000
      -6: X=0.49250000 Y=0.90700000 Z=0.30310000
      -6: X=0.50750000 Y=0.09300000 Z=0.69690000
      -6: X=0.99250000 Y=0.90700000 Z=0.19690000
      -6: X=0.00750000 Y=0.09300000 Z=0.80310000
F          NPT=  781  R0=.000100000 RMT= 1.74        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000