B   LATTICE,NONEQUIV.ATOMS   7   44 Imm2                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.316230 18.288770  9.140605 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.00000000
          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=0.15846000 Z=0.52450000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.84154000 Z=0.52450000
Si         NPT=  781  R0=.000100000 RMT= 1.38        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=0.19680000 Y=0.15906000 Z=0.02060000
          MULT= 4          ISPLIT= 8
      -3: X=0.80320000 Y=0.84094000 Z=0.02060000
      -3: X=0.80320000 Y=0.15906000 Z=0.02060000
      -3: X=0.19680000 Y=0.84094000 Z=0.02060000
Si         NPT=  781  R0=.000100000 RMT= 1.38        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=0.27540000 Y=0.00000000 Z=0.05340000
          MULT= 2          ISPLIT= 8
      -4: X=0.72460000 Y=0.00000000 Z=0.05340000
N          NPT=  781  R0=.000100000 RMT= 1.65        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=0.18670000 Z=0.17440000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.81330000 Z=0.17440000
N          NPT=  781  R0=.000100000 RMT= 1.65        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=0.32370000 Y=0.28010000 Z=0.18120000
          MULT= 4          ISPLIT= 8
      -6: X=0.67630000 Y=0.71990000 Z=0.18120000
      -6: X=0.67630000 Y=0.28010000 Z=0.18120000
      -6: X=0.32370000 Y=0.71990000 Z=0.18120000
N          NPT=  781  R0=.000100000 RMT= 1.65        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.61170000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000