P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma    
MODE OF CALC=RELA unit=bohr
 21.353905  7.558905 20.598015 90.000000 90.000000 90.000000
ATOM  -1: X=0.01000000 Y=0.25000000 Z=0.69000000
          MULT= 4          ISPLIT=15
      -1: X=0.99000000 Y=0.75000000 Z=0.31000000
      -1: X=0.51000000 Y=0.25000000 Z=0.81000000
      -1: X=0.49000000 Y=0.75000000 Z=0.19000000
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=0.31000000 Y=0.25000000 Z=0.49200000
          MULT= 4          ISPLIT=15
      -2: X=0.69000000 Y=0.75000000 Z=0.50800000
      -2: X=0.81000000 Y=0.25000000 Z=0.00800000
      -2: X=0.19000000 Y=0.75000000 Z=0.99200000
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=0.05400000 Y=0.25000000 Z=0.12800000
          MULT= 4          ISPLIT=15
      -3: X=0.94600000 Y=0.75000000 Z=0.87200000
      -3: X=0.55400000 Y=0.25000000 Z=0.37200000
      -3: X=0.44600000 Y=0.75000000 Z=0.62800000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.37800000 Y=0.25000000 Z=0.05400000
          MULT= 4          ISPLIT=15
      -4: X=0.62200000 Y=0.75000000 Z=0.94600000
      -4: X=0.87800000 Y=0.25000000 Z=0.44600000
      -4: X=0.12200000 Y=0.75000000 Z=0.55400000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.21600000 Y=0.25000000 Z=0.78000000
          MULT= 4          ISPLIT=15
      -5: X=0.78400000 Y=0.75000000 Z=0.22000000
      -5: X=0.71600000 Y=0.25000000 Z=0.72000000
      -5: X=0.28400000 Y=0.75000000 Z=0.28000000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000