P   LATTICE,NONEQUIV.ATOMS   5   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.982419 24.264084 16.176056 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.16420000 Y=0.12210000 Z=0.00810000
          MULT= 8          ISPLIT= 8
      -1: X=0.83580000 Y=0.87790000 Z=0.99190000
      -1: X=0.66420000 Y=0.12210000 Z=0.49190000
      -1: X=0.33580000 Y=0.87790000 Z=0.50810000
      -1: X=0.33580000 Y=0.62210000 Z=0.00810000
      -1: X=0.66420000 Y=0.37790000 Z=0.99190000
      -1: X=0.83580000 Y=0.62210000 Z=0.49190000
      -1: X=0.16420000 Y=0.37790000 Z=0.50810000
S          NPT=  781  R0=.000100000 RMT= 1.65        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25940000 Y=0.36320000 Z=0.32170000
          MULT= 8          ISPLIT= 8
      -2: X=0.74060000 Y=0.63680000 Z=0.67830000
      -2: X=0.75940000 Y=0.36320000 Z=0.17830000
      -2: X=0.24060000 Y=0.63680000 Z=0.82170000
      -2: X=0.24060000 Y=0.86320000 Z=0.32170000
      -2: X=0.75940000 Y=0.13680000 Z=0.67830000
      -2: X=0.74060000 Y=0.86320000 Z=0.17830000
      -2: X=0.25940000 Y=0.13680000 Z=0.82170000
C          NPT=  781  R0=.000100000 RMT= 1.02        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  -3: X=0.38520000 Y=0.10920000 Z=0.09990000
          MULT= 8          ISPLIT= 8
      -3: X=0.61480000 Y=0.89080000 Z=0.90010000
      -3: X=0.88520000 Y=0.10920000 Z=0.40010000
      -3: X=0.11480000 Y=0.89080000 Z=0.59990000
      -3: X=0.11480000 Y=0.60920000 Z=0.09990000
      -3: X=0.88520000 Y=0.39080000 Z=0.90010000
      -3: X=0.61480000 Y=0.60920000 Z=0.40010000
      -3: X=0.38520000 Y=0.39080000 Z=0.59990000
C          NPT=  781  R0=.000100000 RMT= 1.02        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  -4: X=0.31980000 Y=0.35730000 Z=0.20080000
          MULT= 8          ISPLIT= 8
      -4: X=0.68020000 Y=0.64270000 Z=0.79920000
      -4: X=0.81980000 Y=0.35730000 Z=0.29920000
      -4: X=0.18020000 Y=0.64270000 Z=0.70080000
      -4: X=0.18020000 Y=0.85730000 Z=0.20080000
      -4: X=0.81980000 Y=0.14270000 Z=0.79920000
      -4: X=0.68020000 Y=0.85730000 Z=0.29920000
      -4: X=0.31980000 Y=0.14270000 Z=0.70080000
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
ATOM  -5: X=0.02650000 Y=0.10230000 Z=0.33270000
          MULT= 8          ISPLIT= 8
      -5: X=0.97350000 Y=0.89770000 Z=0.66730000
      -5: X=0.52650000 Y=0.10230000 Z=0.16730000
      -5: X=0.47350000 Y=0.89770000 Z=0.83270000
      -5: X=0.47350000 Y=0.60230000 Z=0.33270000
      -5: X=0.52650000 Y=0.39770000 Z=0.66730000
      -5: X=0.97350000 Y=0.60230000 Z=0.16730000
      -5: X=0.02650000 Y=0.39770000 Z=0.83270000
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