H   LATTICE,NONEQUIV.ATOMS  10  143 P3                                         
MODE OF CALC=RELA unit=bohr                                                    
 13.698247 13.698247 12.819146 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.75011000
          MULT= 1          ISPLIT= 4
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=0.00000000 Z=0.55890000
          MULT= 1          ISPLIT= 4
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  -3: X=0.66666667 Y=0.33333333 Z=0.68756000
          MULT= 1          ISPLIT= 4
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  -4: X=0.25410000 Y=0.21330000 Z=0.04390000
          MULT= 3          ISPLIT= 8
      -4: X=0.78670000 Y=0.04080000 Z=0.04390000
      -4: X=0.95920000 Y=0.74590000 Z=0.04390000
Si         NPT=  781  R0=.000100000 RMT= 1.39        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  -5: X=0.07310000 Y=0.45080000 Z=0.25630000
          MULT= 3          ISPLIT= 8
      -5: X=0.54920000 Y=0.62230000 Z=0.25630000
      -5: X=0.37770000 Y=0.92690000 Z=0.25630000
Si         NPT=  781  R0=.000100000 RMT= 1.39        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  -6: X=0.29350000 Y=0.42480000 Z=0.19230000
          MULT= 3          ISPLIT= 8
      -6: X=0.57520000 Y=0.86870000 Z=0.19230000
      -6: X=0.13130000 Y=0.70650000 Z=0.19230000
N          NPT=  781  R0=.000100000 RMT= 1.71        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=0.09360000
          MULT= 1          ISPLIT= 4
N          NPT=  781  R0=.000100000 RMT= 1.71        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  -8: X=0.41090000 Y=0.11900000 Z=0.10470000
          MULT= 3          ISPLIT= 8
      -8: X=0.88100000 Y=0.29190000 Z=0.10470000
      -8: X=0.70810000 Y=0.58910000 Z=0.10470000
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
ATOM  -9: X=0.28930000 Y=0.28100000 Z=0.81570000
          MULT= 3          ISPLIT= 8
      -9: X=0.71900000 Y=0.00830000 Z=0.81570000
      -9: X=0.99170000 Y=0.71070000 Z=0.81570000
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
ATOM -10: X=0.01540000 Y=0.39180000 Z=0.48300000
          MULT= 3          ISPLIT= 8
     -10: X=0.60820000 Y=0.62360000 Z=0.48300000
     -10: X=0.37640000 Y=0.98460000 Z=0.48300000
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