P   LATTICE,NONEQUIV.ATOMS   6  205 Pa-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.964957 19.964957 19.964957 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.22350000 Y=0.22350000 Z=0.22350000
          MULT= 8          ISPLIT= 4
      -1: X=0.77650000 Y=0.77650000 Z=0.77650000
      -1: X=0.27650000 Y=0.77650000 Z=0.72350000
      -1: X=0.72350000 Y=0.22350000 Z=0.27650000
      -1: X=0.72350000 Y=0.27650000 Z=0.77650000
      -1: X=0.27650000 Y=0.72350000 Z=0.22350000
      -1: X=0.77650000 Y=0.72350000 Z=0.27650000
      -1: X=0.22350000 Y=0.27650000 Z=0.72350000
W          NPT=  781  R0=.000005000 RMT= 1.84        Z:  74.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 4          ISPLIT= 4
      -3: X=0.00000000 Y=0.50000000 Z=0.00000000
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
      -3: X=0.50000000 Y=0.00000000 Z=0.00000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.32780000 Y=0.32780000 Z=0.32780000
          MULT= 8          ISPLIT= 4
      -4: X=0.67220000 Y=0.67220000 Z=0.67220000
      -4: X=0.17220000 Y=0.67220000 Z=0.82780000
      -4: X=0.82780000 Y=0.32780000 Z=0.17220000
      -4: X=0.82780000 Y=0.17220000 Z=0.67220000
      -4: X=0.17220000 Y=0.82780000 Z=0.32780000
      -4: X=0.67220000 Y=0.82780000 Z=0.17220000
      -4: X=0.32780000 Y=0.17220000 Z=0.82780000
F          NPT=  781  R0=.000100000 RMT= 1.66        Z:   9.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -5: X=0.07080000 Y=0.13520000 Z=0.25710000
          MULT=24          ISPLIT= 8
      -5: X=0.92920000 Y=0.86480000 Z=0.74290000
      -5: X=0.42920000 Y=0.86480000 Z=0.75710000
      -5: X=0.57080000 Y=0.13520000 Z=0.24290000
      -5: X=0.57080000 Y=0.36480000 Z=0.74290000
      -5: X=0.42920000 Y=0.63520000 Z=0.25710000
      -5: X=0.25710000 Y=0.07080000 Z=0.13520000
      -5: X=0.74290000 Y=0.92920000 Z=0.86480000
      -5: X=0.92920000 Y=0.63520000 Z=0.24290000
      -5: X=0.07080000 Y=0.36480000 Z=0.75710000
      -5: X=0.24290000 Y=0.92920000 Z=0.63520000
      -5: X=0.75710000 Y=0.07080000 Z=0.36480000
      -5: X=0.75710000 Y=0.42920000 Z=0.86480000
      -5: X=0.24290000 Y=0.57080000 Z=0.13520000
      -5: X=0.74290000 Y=0.57080000 Z=0.36480000
      -5: X=0.25710000 Y=0.42920000 Z=0.63520000
      -5: X=0.13520000 Y=0.25710000 Z=0.07080000
      -5: X=0.86480000 Y=0.74290000 Z=0.92920000
      -5: X=0.36480000 Y=0.74290000 Z=0.57080000
      -5: X=0.63520000 Y=0.25710000 Z=0.42920000
      -5: X=0.63520000 Y=0.24290000 Z=0.92920000
      -5: X=0.36480000 Y=0.75710000 Z=0.07080000
      -5: X=0.86480000 Y=0.75710000 Z=0.42920000
      -5: X=0.13520000 Y=0.24290000 Z=0.57080000
F          NPT=  781  R0=.000100000 RMT= 1.66        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=0.11810000 Y=0.35600000 Z=0.27270000
          MULT=24          ISPLIT= 8
      -6: X=0.88190000 Y=0.64400000 Z=0.72730000
      -6: X=0.38190000 Y=0.64400000 Z=0.77270000
      -6: X=0.61810000 Y=0.35600000 Z=0.22730000
      -6: X=0.61810000 Y=0.14400000 Z=0.72730000
      -6: X=0.38190000 Y=0.85600000 Z=0.27270000
      -6: X=0.27270000 Y=0.11810000 Z=0.35600000
      -6: X=0.72730000 Y=0.88190000 Z=0.64400000
      -6: X=0.88190000 Y=0.85600000 Z=0.22730000
      -6: X=0.11810000 Y=0.14400000 Z=0.77270000
      -6: X=0.22730000 Y=0.88190000 Z=0.85600000
      -6: X=0.77270000 Y=0.11810000 Z=0.14400000
      -6: X=0.77270000 Y=0.38190000 Z=0.64400000
      -6: X=0.22730000 Y=0.61810000 Z=0.35600000
      -6: X=0.72730000 Y=0.61810000 Z=0.14400000
      -6: X=0.27270000 Y=0.38190000 Z=0.85600000
      -6: X=0.35600000 Y=0.27270000 Z=0.11810000
      -6: X=0.64400000 Y=0.72730000 Z=0.88190000
      -6: X=0.14400000 Y=0.72730000 Z=0.61810000
      -6: X=0.85600000 Y=0.27270000 Z=0.38190000
      -6: X=0.85600000 Y=0.22730000 Z=0.88190000
      -6: X=0.14400000 Y=0.77270000 Z=0.11810000
      -6: X=0.64400000 Y=0.77270000 Z=0.38190000
      -6: X=0.35600000 Y=0.22730000 Z=0.61810000
F          NPT=  781  R0=.000100000 RMT= 1.66        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000