H   LATTICE,NONEQUIV.ATOMS   7  186 P63mc                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.378041 11.378041 18.524985 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.73670000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 Z=0.23670000
Y          NPT=  781  R0=.000010000 RMT= 2.33        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.36260000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666666 Y=0.33333333 Z=0.86260000
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=0.00000000 Y=0.00000000 Z=0.31320000
          MULT= 2          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.81320000
Si         NPT=  781  R0=.000100000 RMT= 1.51        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=0.17370000 Y=0.82630000 Z=0.04640000
          MULT= 6          ISPLIT= 8
      -4: X=0.34740000 Y=0.17370000 Z=0.54640000
      -4: X=0.82630000 Y=0.17370000 Z=0.54640000
      -4: X=0.17370000 Y=0.34740000 Z=0.04640000
      -4: X=0.65260000 Y=0.82630000 Z=0.04640000
      -4: X=0.82630000 Y=0.65260000 Z=0.54640000
Si         NPT=  781  R0=.000100000 RMT= 1.51        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.48720000 Y=0.51280000 Z=0.09850000
          MULT= 6          ISPLIT= 8
      -5: X=0.97440000 Y=0.48720000 Z=0.59850000
      -5: X=0.51280000 Y=0.48720000 Z=0.59850000
      -5: X=0.48720000 Y=0.97440000 Z=0.09850000
      -5: X=0.02560000 Y=0.51280000 Z=0.09850000
      -5: X=0.51280000 Y=0.02560000 Z=0.59850000
N          NPT=  781  R0=.000100000 RMT= 1.67        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.84790000 Y=0.15210000 Z=0.37420000
          MULT= 6          ISPLIT= 8
      -6: X=0.69580000 Y=0.84790000 Z=0.87420000
      -6: X=0.15210000 Y=0.84790000 Z=0.87420000
      -6: X=0.84790000 Y=0.69580000 Z=0.37420000
      -6: X=0.30420000 Y=0.15210000 Z=0.37420000
      -6: X=0.15210000 Y=0.30420000 Z=0.87420000
N          NPT=  781  R0=.000100000 RMT= 1.67        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.12410000
          MULT= 2          ISPLIT= 4
      -7: X=0.00000000 Y=0.00000000 Z=0.62410000
N          NPT=  781  R0=.000100000 RMT= 1.67        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000