P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma    
MODE OF CALC=RELA unit=bohr
 12.212922  7.303792 30.568777 90.000000 90.000000 90.000000
ATOM  -1: X=0.22491000 Y=0.25000000 Z=0.79930000
          MULT= 4          ISPLIT=15
      -1: X=0.77509000 Y=0.75000000 Z=0.20070000
      -1: X=0.72491000 Y=0.25000000 Z=0.70070000
      -1: X=0.27509000 Y=0.75000000 Z=0.29930000
Rb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  37.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25179000 Y=0.25000000 Z=0.05881000
          MULT= 4          ISPLIT=15
      -2: X=0.74821000 Y=0.75000000 Z=0.94119000
      -2: X=0.75179000 Y=0.25000000 Z=0.44119000
      -2: X=0.24821000 Y=0.75000000 Z=0.55881000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.13392000 Y=0.25000000 Z=0.46305000
          MULT= 4          ISPLIT=15
      -3: X=0.86608000 Y=0.75000000 Z=0.53695000
      -3: X=0.63392000 Y=0.25000000 Z=0.03695000
      -3: X=0.36608000 Y=0.75000000 Z=0.96305000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.49933000 Y=0.25000000 Z=0.55603000
          MULT= 4          ISPLIT=15
      -4: X=0.50067000 Y=0.75000000 Z=0.44397000
      -4: X=0.99933000 Y=0.25000000 Z=0.94397000
      -4: X=0.00067000 Y=0.75000000 Z=0.05603000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.10863000 Y=0.25000000 Z=0.63027000
          MULT= 4          ISPLIT=15
      -5: X=0.89137000 Y=0.75000000 Z=0.36973000
      -5: X=0.60863000 Y=0.25000000 Z=0.86973000
      -5: X=0.39137000 Y=0.75000000 Z=0.13027000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.09340000 Y=0.25000000 Z=0.18886000
          MULT= 4          ISPLIT=15
      -6: X=0.90660000 Y=0.75000000 Z=0.81114000
      -6: X=0.59340000 Y=0.25000000 Z=0.31114000
      -6: X=0.40660000 Y=0.75000000 Z=0.68886000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000