H   LATTICE,NONEQUIV.ATOMS   5  190 P-62c                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.199952 18.199952 18.625141 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.34700000 Y=0.41600000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.06900000 Y=0.65300000 Z=0.25000000
      -2: X=0.41600000 Y=0.34700000 Z=0.75000000
      -2: X=0.58400000 Y=0.93100000 Z=0.25000000
      -2: X=0.93100000 Y=0.58400000 Z=0.75000000
      -2: X=0.65300000 Y=0.06900000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.45130000 Y=0.16730000 Z=0.08800000
          MULT=12          ISPLIT= 8
      -3: X=0.71600000 Y=0.54870000 Z=0.41200000
      -3: X=0.16730000 Y=0.45130000 Z=0.58800000
      -3: X=0.83270000 Y=0.28400000 Z=0.08800000
      -3: X=0.28400000 Y=0.83270000 Z=0.91200000
      -3: X=0.45130000 Y=0.16730000 Z=0.41200000
      -3: X=0.54870000 Y=0.71600000 Z=0.58800000
      -3: X=0.71600000 Y=0.54870000 Z=0.08800000
      -3: X=0.16730000 Y=0.45130000 Z=0.91200000
      -3: X=0.83270000 Y=0.28400000 Z=0.41200000
      -3: X=0.28400000 Y=0.83270000 Z=0.58800000
      -3: X=0.54870000 Y=0.71600000 Z=0.91200000
Au         NPT=  781  R0=.000005000 RMT= 2.43        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33333333 Y=0.66666667 Z=0.05100000
          MULT= 4          ISPLIT= 4
      -4: X=0.33333334 Y=0.66666667 Z=0.44900000
      -4: X=0.66666667 Y=0.33333333 Z=0.55100000
      -4: X=0.66666666 Y=0.33333333 Z=0.94900000
S          NPT=  781  R0=.000100000 RMT= 1.89        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.25800000 Y=0.03300000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.77500000 Y=0.74200000 Z=0.25000000
      -5: X=0.03300000 Y=0.25800000 Z=0.75000000
      -5: X=0.96700000 Y=0.22500000 Z=0.25000000
      -5: X=0.22500000 Y=0.96700000 Z=0.75000000
      -5: X=0.74200000 Y=0.77500000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.89        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000