R   LATTICE,NONEQUIV.ATOMS   5  148 R-3     
MODE OF CALC=RELA unit=bohr
 18.185969 18.185969 21.519254 90.000000 90.000000120.000000
ATOM  -1: X=0.24913000 Y=0.43961000 Z=0.94336000
          MULT= 6          ISPLIT=15
      -1: X=0.75087000 Y=0.56039000 Z=0.05664000
      -1: X=0.43961000 Y=0.94336000 Z=0.24913000
      -1: X=0.56039000 Y=0.05664000 Z=0.75087000
      -1: X=0.94336000 Y=0.24913000 Z=0.43961000
      -1: X=0.05664000 Y=0.75087000 Z=0.56039000
Ca         NPT=  781  R0=.000050000 RMT=   2.00000   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=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT=15
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
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= 1          ISPLIT=15
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.29390000 Y=0.08690000 Z=0.95814000
          MULT= 6          ISPLIT=15
      -4: X=0.70610000 Y=0.91310000 Z=0.04186000
      -4: X=0.08690000 Y=0.95814000 Z=0.29390000
      -4: X=0.91310000 Y=0.04186000 Z=0.70610000
      -4: X=0.95814000 Y=0.29390000 Z=0.08690000
      -4: X=0.04186000 Y=0.70610000 Z=0.91310000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.43470000 Y=0.57427000 Z=0.20756000
          MULT= 6          ISPLIT=15
      -5: X=0.56530000 Y=0.42573000 Z=0.79244000
      -5: X=0.57427000 Y=0.20756000 Z=0.43470000
      -5: X=0.42573000 Y=0.79244000 Z=0.56530000
      -5: X=0.20756000 Y=0.43470000 Z=0.57427000
      -5: X=0.79244000 Y=0.56530000 Z=0.42573000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000