H   LATTICE,NONEQUIV.ATOMS   6  162 P-31m                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.678508 11.678508 21.017534 90.000000 90.000000120.000000                   
ATOM  -1: X=0.50000000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.00000000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.27600000
          MULT= 2          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.72400000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33333333 Y=0.66666667 Z=0.20870000
          MULT= 4          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.79130000
      -4: X=0.66666667 Y=0.33333333 Z=0.20870000
      -4: X=0.33333333 Y=0.66666667 Z=0.79130000
P          NPT=  781  R0=.000100000 RMT= 1.85        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.37560000 Y=0.00000000 Z=0.30180000
          MULT= 6          ISPLIT= 8
      -5: X=0.62440000 Y=0.00000000 Z=0.69820000
      -5: X=0.00000000 Y=0.37560000 Z=0.30180000
      -5: X=0.00000000 Y=0.62440000 Z=0.69820000
      -5: X=0.62440000 Y=0.62440000 Z=0.30180000
      -5: X=0.37560000 Y=0.37560000 Z=0.69820000
P          NPT=  781  R0=.000100000 RMT= 1.85        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000