P   LATTICE,NONEQUIV.ATOMS   3   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.718862 17.366583 10.276331 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.36200000 Y=0.12960000 Z=0.10300000
          MULT= 8          ISPLIT= 8
      -1: X=0.63800000 Y=0.87040000 Z=0.89700000
      -1: X=0.86200000 Y=0.12960000 Z=0.39700000
      -1: X=0.13800000 Y=0.87040000 Z=0.60300000
      -1: X=0.13800000 Y=0.62960000 Z=0.10300000
      -1: X=0.86200000 Y=0.37040000 Z=0.89700000
      -1: X=0.63800000 Y=0.62960000 Z=0.39700000
      -1: X=0.36200000 Y=0.37040000 Z=0.60300000
Ti         NPT=  781  R0=.000050000 RMT= 1.85        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.18300000 Y=0.00900000 Z=0.34800000
          MULT= 8          ISPLIT= 8
      -2: X=0.81700000 Y=0.99100000 Z=0.65200000
      -2: X=0.68300000 Y=0.00900000 Z=0.15200000
      -2: X=0.31700000 Y=0.99100000 Z=0.84800000
      -2: X=0.31700000 Y=0.50900000 Z=0.34800000
      -2: X=0.68300000 Y=0.49100000 Z=0.65200000
      -2: X=0.81700000 Y=0.50900000 Z=0.15200000
      -2: X=0.18300000 Y=0.49100000 Z=0.84800000
O          NPT=  781  R0=.000100000 RMT= 1.68        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  -3: X=0.04000000 Y=0.22600000 Z=0.12000000
          MULT= 8          ISPLIT= 8
      -3: X=0.96000000 Y=0.77400000 Z=0.88000000
      -3: X=0.54000000 Y=0.22600000 Z=0.38000000
      -3: X=0.46000000 Y=0.77400000 Z=0.62000000
      -3: X=0.46000000 Y=0.72600000 Z=0.12000000
      -3: X=0.54000000 Y=0.27400000 Z=0.88000000
      -3: X=0.96000000 Y=0.72600000 Z=0.38000000
      -3: X=0.04000000 Y=0.27400000 Z=0.62000000
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000