P   LATTICE,NONEQUIV.ATOMS   5   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.039110 24.377467 29.555317 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.40500000 Y=0.15730000 Z=0.18850000
          MULT= 8          ISPLIT= 8
      -1: X=0.59500000 Y=0.84270000 Z=0.81150000
      -1: X=0.90500000 Y=0.15730000 Z=0.31150000
      -1: X=0.09500000 Y=0.84270000 Z=0.68850000
      -1: X=0.09500000 Y=0.65730000 Z=0.18850000
      -1: X=0.90500000 Y=0.34270000 Z=0.81150000
      -1: X=0.59500000 Y=0.65730000 Z=0.31150000
      -1: X=0.40500000 Y=0.34270000 Z=0.68850000
Pt         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  78.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.08420000 Y=0.27690000 Z=0.19160000
          MULT= 8          ISPLIT= 8
      -2: X=0.91580000 Y=0.72310000 Z=0.80840000
      -2: X=0.58420000 Y=0.27690000 Z=0.30840000
      -2: X=0.41580000 Y=0.72310000 Z=0.69160000
      -2: X=0.41580000 Y=0.77690000 Z=0.19160000
      -2: X=0.58420000 Y=0.22310000 Z=0.80840000
      -2: X=0.91580000 Y=0.77690000 Z=0.30840000
      -2: X=0.08420000 Y=0.22310000 Z=0.69160000
I          NPT=  781  R0=.000010000 RMT= 2.40        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.21850000 Y=0.04150000 Z=0.31370000
          MULT= 8          ISPLIT= 8
      -3: X=0.78150000 Y=0.95850000 Z=0.68630000
      -3: X=0.71850000 Y=0.04150000 Z=0.18630000
      -3: X=0.28150000 Y=0.95850000 Z=0.81370000
      -3: X=0.28150000 Y=0.54150000 Z=0.31370000
      -3: X=0.71850000 Y=0.45850000 Z=0.68630000
      -3: X=0.78150000 Y=0.54150000 Z=0.18630000
      -3: X=0.21850000 Y=0.45850000 Z=0.81370000
I          NPT=  781  R0=.000010000 RMT= 2.40        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.24650000 Y=0.04150000 Z=0.06950000
          MULT= 8          ISPLIT= 8
      -4: X=0.75350000 Y=0.95850000 Z=0.93050000
      -4: X=0.74650000 Y=0.04150000 Z=0.43050000
      -4: X=0.25350000 Y=0.95850000 Z=0.56950000
      -4: X=0.25350000 Y=0.54150000 Z=0.06950000
      -4: X=0.74650000 Y=0.45850000 Z=0.93050000
      -4: X=0.75350000 Y=0.54150000 Z=0.43050000
      -4: X=0.24650000 Y=0.45850000 Z=0.56950000
I          NPT=  781  R0=.000010000 RMT= 2.40        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.05940000 Y=0.27690000 Z=0.43250000
          MULT= 8          ISPLIT= 8
      -5: X=0.94060000 Y=0.72310000 Z=0.56750000
      -5: X=0.55940000 Y=0.27690000 Z=0.06750000
      -5: X=0.44060000 Y=0.72310000 Z=0.93250000
      -5: X=0.44060000 Y=0.77690000 Z=0.43250000
      -5: X=0.55940000 Y=0.22310000 Z=0.56750000
      -5: X=0.94060000 Y=0.77690000 Z=0.06750000
      -5: X=0.05940000 Y=0.22310000 Z=0.93250000
I          NPT=  781  R0=.000010000 RMT= 2.40        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000