B   LATTICE,NONEQUIV.ATOMS   6   44 Imm2                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.988552 17.656845  9.138149 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.18650000
          MULT= 1          ISPLIT= 8
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.00000000 Y=0.37334000 Z=0.64590000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.62666000 Z=0.64590000
Si         NPT=  781  R0=.000100000 RMT= 1.46        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.20226000 Y=0.33956000 Z=0.16440000
          MULT= 4          ISPLIT= 8
      -3: X=0.79774000 Y=0.66044000 Z=0.16440000
      -3: X=0.79774000 Y=0.33956000 Z=0.16440000
      -3: X=0.20226000 Y=0.66044000 Z=0.16440000
Si         NPT=  781  R0=.000100000 RMT= 1.46        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.21370000 Y=0.00000000 Z=0.65400000
          MULT= 2          ISPLIT= 8
      -4: X=0.78630000 Y=0.00000000 Z=0.65400000
N          NPT=  781  R0=.000100000 RMT= 1.62        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.31410000 Z=0.30960000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.68590000 Z=0.30960000
N          NPT=  781  R0=.000100000 RMT= 1.62        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.32050000 Y=0.19920000 Z=0.30640000
          MULT= 4          ISPLIT= 8
      -6: X=0.67950000 Y=0.80080000 Z=0.30640000
      -6: X=0.67950000 Y=0.19920000 Z=0.30640000
      -6: X=0.32050000 Y=0.80080000 Z=0.30640000
N          NPT=  781  R0=.000100000 RMT= 1.62        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000