P   LATTICE,NONEQUIV.ATOMS   6   57 Pbcm                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.773475 25.994128 10.427131 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.75700000 Y=0.40610000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.24300000 Y=0.59390000 Z=0.75000000
      -1: X=0.24300000 Y=0.90610000 Z=0.25000000
      -1: X=0.75700000 Y=0.09390000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.45        Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.18870000 Y=0.17660000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.81130000 Y=0.82340000 Z=0.75000000
      -2: X=0.81130000 Y=0.67660000 Z=0.25000000
      -2: X=0.18870000 Y=0.32340000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 1.78        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  -3: X=0.31880000 Y=0.08100000 Z=0.01310000
          MULT= 8          ISPLIT= 8
      -3: X=0.68120000 Y=0.91900000 Z=0.98690000
      -3: X=0.31880000 Y=0.08100000 Z=0.48690000
      -3: X=0.68120000 Y=0.91900000 Z=0.51310000
      -3: X=0.68120000 Y=0.58100000 Z=0.01310000
      -3: X=0.31880000 Y=0.41900000 Z=0.98690000
      -3: X=0.68120000 Y=0.58100000 Z=0.48690000
      -3: X=0.31880000 Y=0.41900000 Z=0.51310000
F          NPT=  781  R0=.000100000 RMT= 1.69        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  -4: X=0.51120000 Y=0.23480000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.48880000 Y=0.76520000 Z=0.75000000
      -4: X=0.48880000 Y=0.73480000 Z=0.25000000
      -4: X=0.51120000 Y=0.26520000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.69        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=0.10060000 Y=0.58780000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -5: X=0.89940000 Y=0.41220000 Z=0.75000000
      -5: X=0.89940000 Y=0.08780000 Z=0.25000000
      -5: X=0.10060000 Y=0.91220000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.69        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=0.05040000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.94960000 Y=0.75000000 Z=0.00000000
      -6: X=0.05040000 Y=0.25000000 Z=0.50000000
      -6: X=0.94960000 Y=0.75000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.65        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000