P   LATTICE,NONEQUIV.ATOMS   5   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.601914 15.170721 15.153714 90.000000 90.000000109.160000                   
ATOM  -1: X=0.12880000 Y=0.01160000 Z=0.63010000
          MULT= 4          ISPLIT= 8
      -1: X=0.87120000 Y=0.98840000 Z=0.36990000
      -1: X=0.37120000 Y=0.48840000 Z=0.13010000
      -1: X=0.62880000 Y=0.51160000 Z=0.86990000
Au         NPT=  781  R0=.000005000 RMT= 1.73        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  -2: X=0.14330000 Y=0.41920000 Z=0.03290000
          MULT= 4          ISPLIT= 8
      -2: X=0.85670000 Y=0.58080000 Z=0.96710000
      -2: X=0.35670000 Y=0.08080000 Z=0.53290000
      -2: X=0.64330000 Y=0.91920000 Z=0.46710000
Au         NPT=  781  R0=.000005000 RMT= 1.73        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.50000000 Z=0.50000000
Ca         NPT=  781  R0=.000050000 RMT= 2.04        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  -4: X=0.06900000 Y=0.69200000 Z=0.32000000
          MULT= 4          ISPLIT= 8
      -4: X=0.93100000 Y=0.30800000 Z=0.68000000
      -4: X=0.43100000 Y=0.80800000 Z=0.82000000
      -4: X=0.56900000 Y=0.19200000 Z=0.18000000
Ca         NPT=  781  R0=.000050000 RMT= 2.04        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  -5: X=0.25200000 Y=0.25500000 Z=0.33200000
          MULT= 4          ISPLIT= 8
      -5: X=0.74800000 Y=0.74500000 Z=0.66800000
      -5: X=0.24800000 Y=0.24500000 Z=0.83200000
      -5: X=0.75200000 Y=0.75500000 Z=0.16800000
Ca         NPT=  781  R0=.000050000 RMT= 2.04        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000