P   LATTICE,NONEQUIV.ATOMS   3   61 Pbca    
MODE OF CALC=RELA unit=bohr
 10.076020 10.110035 18.307667 90.000000 90.000000 90.000000
ATOM  -1: X=0.02500000 Y=0.23600000 Z=0.38600000
          MULT= 8          ISPLIT=15
      -1: X=0.97500000 Y=0.76400000 Z=0.61400000
      -1: X=0.52500000 Y=0.23600000 Z=0.11400000
      -1: X=0.47500000 Y=0.76400000 Z=0.88600000
      -1: X=0.47500000 Y=0.73600000 Z=0.38600000
      -1: X=0.52500000 Y=0.26400000 Z=0.61400000
      -1: X=0.97500000 Y=0.73600000 Z=0.11400000
      -1: X=0.02500000 Y=0.26400000 Z=0.88600000
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  -2: X=0.38000000 Y=0.36000000 Z=0.30000000
          MULT= 8          ISPLIT=15
      -2: X=0.62000000 Y=0.64000000 Z=0.70000000
      -2: X=0.88000000 Y=0.36000000 Z=0.20000000
      -2: X=0.12000000 Y=0.64000000 Z=0.80000000
      -2: X=0.12000000 Y=0.86000000 Z=0.30000000
      -2: X=0.88000000 Y=0.14000000 Z=0.70000000
      -2: X=0.62000000 Y=0.86000000 Z=0.20000000
      -2: X=0.38000000 Y=0.14000000 Z=0.80000000
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  -3: X=0.25000000 Y=0.01000000 Z=0.02000000
          MULT= 8          ISPLIT=15
      -3: X=0.75000000 Y=0.99000000 Z=0.98000000
      -3: X=0.75000000 Y=0.01000000 Z=0.48000000
      -3: X=0.25000000 Y=0.99000000 Z=0.52000000
      -3: X=0.25000000 Y=0.51000000 Z=0.02000000
      -3: X=0.75000000 Y=0.49000000 Z=0.98000000
      -3: X=0.75000000 Y=0.51000000 Z=0.48000000
      -3: X=0.25000000 Y=0.49000000 Z=0.52000000
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