P   LATTICE,NONEQUIV.ATOMS   6   81 P-4                                        
MODE OF CALC=RELA unit=bohr                                                    
  9.484535  9.484535 15.926612 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Ca         NPT=  781  R0=.000050000 RMT= 2.34        Z:  20.00000              
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=0.50000000 Z=0.27800000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.72200000
Au         NPT=  781  R0=.000005000 RMT= 1.88        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  -3: X=0.23800000 Y=0.26200000 Z=0.72200000
          MULT= 4          ISPLIT= 8
      -3: X=0.26200000 Y=0.76200000 Z=0.27800000
      -3: X=0.76200000 Y=0.73800000 Z=0.72200000
      -3: X=0.73800000 Y=0.23800000 Z=0.27800000
F          NPT=  781  R0=.000100000 RMT= 1.62        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.26200000 Y=0.23800000 Z=0.27800000
          MULT= 4          ISPLIT= 8
      -4: X=0.23800000 Y=0.73800000 Z=0.72200000
      -4: X=0.73800000 Y=0.76200000 Z=0.27800000
      -4: X=0.76200000 Y=0.26200000 Z=0.72200000
F          NPT=  781  R0=.000100000 RMT= 1.62        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.50000000 Z=0.49900000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.00000000 Z=0.50100000
F          NPT=  781  R0=.000100000 RMT= 1.62        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00000000 Y=0.50000000 Z=0.05700000
          MULT= 2          ISPLIT= 8
      -6: X=0.50000000 Y=0.00000000 Z=0.94300000
F          NPT=  781  R0=.000100000 RMT= 1.62        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000