P   LATTICE,NONEQUIV.ATOMS   6   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.117809 15.306782 27.778974 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12780000 Y=0.00530000 Z=0.17520000
          MULT= 8          ISPLIT= 8
      -1: X=0.87220000 Y=0.99470000 Z=0.82480000
      -1: X=0.62780000 Y=0.00530000 Z=0.32480000
      -1: X=0.37220000 Y=0.99470000 Z=0.67520000
      -1: X=0.37220000 Y=0.50530000 Z=0.17520000
      -1: X=0.62780000 Y=0.49470000 Z=0.82480000
      -1: X=0.87220000 Y=0.50530000 Z=0.32480000
      -1: X=0.12780000 Y=0.49470000 Z=0.67520000
Sb         NPT=  781  R0=.000010000 RMT= 1.88        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=0.18100000 Y=0.19400000 Z=0.44200000
          MULT= 8          ISPLIT= 8
      -2: X=0.81900000 Y=0.80600000 Z=0.55800000
      -2: X=0.68100000 Y=0.19400000 Z=0.05800000
      -2: X=0.31900000 Y=0.80600000 Z=0.94200000
      -2: X=0.31900000 Y=0.69400000 Z=0.44200000
      -2: X=0.68100000 Y=0.30600000 Z=0.55800000
      -2: X=0.81900000 Y=0.69400000 Z=0.05800000
      -2: X=0.18100000 Y=0.30600000 Z=0.94200000
K          NPT=  781  R0=.000050000 RMT= 2.36        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.01200000 Y=0.37500000 Z=0.14300000
          MULT= 8          ISPLIT= 8
      -3: X=0.98800000 Y=0.62500000 Z=0.85700000
      -3: X=0.51200000 Y=0.37500000 Z=0.35700000
      -3: X=0.48800000 Y=0.62500000 Z=0.64300000
      -3: X=0.48800000 Y=0.87500000 Z=0.14300000
      -3: X=0.51200000 Y=0.12500000 Z=0.85700000
      -3: X=0.98800000 Y=0.87500000 Z=0.35700000
      -3: X=0.01200000 Y=0.12500000 Z=0.64300000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     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  -4: X=0.15600000 Y=0.05100000 Z=0.04600000
          MULT= 8          ISPLIT= 8
      -4: X=0.84400000 Y=0.94900000 Z=0.95400000
      -4: X=0.65600000 Y=0.05100000 Z=0.45400000
      -4: X=0.34400000 Y=0.94900000 Z=0.54600000
      -4: X=0.34400000 Y=0.55100000 Z=0.04600000
      -4: X=0.65600000 Y=0.44900000 Z=0.95400000
      -4: X=0.84400000 Y=0.55100000 Z=0.45400000
      -4: X=0.15600000 Y=0.44900000 Z=0.54600000
F          NPT=  781  R0=.000100000 RMT= 1.70        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  -5: X=0.38700000 Y=0.00300000 Z=0.34700000
          MULT= 8          ISPLIT= 8
      -5: X=0.61300000 Y=0.99700000 Z=0.65300000
      -5: X=0.88700000 Y=0.00300000 Z=0.15300000
      -5: X=0.11300000 Y=0.99700000 Z=0.84700000
      -5: X=0.11300000 Y=0.50300000 Z=0.34700000
      -5: X=0.88700000 Y=0.49700000 Z=0.65300000
      -5: X=0.61300000 Y=0.50300000 Z=0.15300000
      -5: X=0.38700000 Y=0.49700000 Z=0.84700000
F          NPT=  781  R0=.000100000 RMT= 1.70        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=0.39000000 Y=0.27700000 Z=0.14600000
          MULT= 8          ISPLIT= 8
      -6: X=0.61000000 Y=0.72300000 Z=0.85400000
      -6: X=0.89000000 Y=0.27700000 Z=0.35400000
      -6: X=0.11000000 Y=0.72300000 Z=0.64600000
      -6: X=0.11000000 Y=0.77700000 Z=0.14600000
      -6: X=0.89000000 Y=0.22300000 Z=0.85400000
      -6: X=0.61000000 Y=0.77700000 Z=0.35400000
      -6: X=0.39000000 Y=0.22300000 Z=0.64600000
F          NPT=  781  R0=.000100000 RMT= 1.70        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000