P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma    
MODE OF CALC=RELA unit=bohr
 20.127473  7.347255 19.673939 90.000000 90.000000 90.000000
ATOM  -1: X=0.44700000 Y=0.25000000 Z=0.37800000
          MULT= 4          ISPLIT=15
      -1: X=0.55300000 Y=0.75000000 Z=0.62200000
      -1: X=0.94700000 Y=0.25000000 Z=0.12200000
      -1: X=0.05300000 Y=0.75000000 Z=0.87800000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.12900000 Y=0.25000000 Z=0.43900000
          MULT= 4          ISPLIT=15
      -2: X=0.87100000 Y=0.75000000 Z=0.56100000
      -2: X=0.62900000 Y=0.25000000 Z=0.06100000
      -2: X=0.37100000 Y=0.75000000 Z=0.93900000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.27000000 Y=0.25000000 Z=0.70600000
          MULT= 4          ISPLIT=15
      -3: X=0.73000000 Y=0.75000000 Z=0.29400000
      -3: X=0.77000000 Y=0.25000000 Z=0.79400000
      -3: X=0.23000000 Y=0.75000000 Z=0.20600000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.02200000 Y=0.25000000 Z=0.68600000
          MULT= 4          ISPLIT=15
      -4: X=0.97800000 Y=0.75000000 Z=0.31400000
      -4: X=0.52200000 Y=0.25000000 Z=0.81400000
      -4: X=0.47800000 Y=0.75000000 Z=0.18600000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.20000000 Y=0.25000000 Z=0.01900000
          MULT= 4          ISPLIT=15
      -5: X=0.80000000 Y=0.75000000 Z=0.98100000
      -5: X=0.70000000 Y=0.25000000 Z=0.48100000
      -5: X=0.30000000 Y=0.75000000 Z=0.51900000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000