P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma    
MODE OF CALC=RELA unit=bohr
 19.930942 11.461189  9.701854 90.000000 90.000000 90.000000
ATOM  -1: X=0.26210000 Y=0.25000000 Z=0.01020000
          MULT= 4          ISPLIT=15
      -1: X=0.73790000 Y=0.75000000 Z=0.98980000
      -1: X=0.76210000 Y=0.25000000 Z=0.48980000
      -1: X=0.23790000 Y=0.75000000 Z=0.51020000
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=0.10000000 Y=0.25000000 Z=0.82100000
          MULT= 4          ISPLIT=15
      -2: X=0.90000000 Y=0.75000000 Z=0.17900000
      -2: X=0.60000000 Y=0.25000000 Z=0.67900000
      -2: X=0.40000000 Y=0.75000000 Z=0.32100000
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=0.41400000 Y=0.25000000 Z=0.21500000
          MULT= 4          ISPLIT=15
      -3: X=0.58600000 Y=0.75000000 Z=0.78500000
      -3: X=0.91400000 Y=0.25000000 Z=0.28500000
      -3: X=0.08600000 Y=0.75000000 Z=0.71500000
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  -4: X=0.16400000 Y=0.01800000 Z=0.26700000
          MULT= 8          ISPLIT=15
      -4: X=0.83600000 Y=0.98200000 Z=0.73300000
      -4: X=0.66400000 Y=0.01800000 Z=0.23300000
      -4: X=0.33600000 Y=0.98200000 Z=0.76700000
      -4: X=0.33600000 Y=0.51800000 Z=0.76700000
      -4: X=0.66400000 Y=0.48200000 Z=0.23300000
      -4: X=0.83600000 Y=0.51800000 Z=0.73300000
      -4: X=0.16400000 Y=0.48200000 Z=0.26700000
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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -5: X=0.50000000 Y=0.00000000 Z=0.50000000
      -5: X=0.50000000 Y=0.50000000 Z=0.50000000
      -5: X=0.00000000 Y=0.50000000 Z=0.00000000
Li         NPT=  781  R0=.000100000 RMT=   2.00000   Z:   3.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.07800000 Y=0.25000000 Z=0.45100000
          MULT= 4          ISPLIT=15
      -6: X=0.92200000 Y=0.75000000 Z=0.54900000
      -6: X=0.57800000 Y=0.25000000 Z=0.04900000
      -6: X=0.42200000 Y=0.75000000 Z=0.95100000
Li         NPT=  781  R0=.000100000 RMT=   2.00000   Z:   3.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000