P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma    
MODE OF CALC=RELA unit=bohr
 20.802483  7.452324 21.551382 90.000000 90.000000 90.000000
ATOM  -1: X=0.13608000 Y=0.25000000 Z=0.06139000
          MULT= 4          ISPLIT=15
      -1: X=0.86392000 Y=0.75000000 Z=0.93861000
      -1: X=0.63608000 Y=0.25000000 Z=0.43861000
      -1: X=0.36392000 Y=0.75000000 Z=0.56139000
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  -2: X=0.09563000 Y=0.25000000 Z=0.71485000
          MULT= 4          ISPLIT=15
      -2: X=0.90437000 Y=0.75000000 Z=0.28515000
      -2: X=0.59563000 Y=0.25000000 Z=0.78515000
      -2: X=0.40437000 Y=0.75000000 Z=0.21485000
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=0.19370000 Y=0.25000000 Z=0.37270000
          MULT= 4          ISPLIT=15
      -3: X=0.80630000 Y=0.75000000 Z=0.62730000
      -3: X=0.69370000 Y=0.25000000 Z=0.12730000
      -3: X=0.30630000 Y=0.75000000 Z=0.87270000
Ti         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  22.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.22850000 Y=0.25000000 Z=0.53510000
          MULT= 4          ISPLIT=15
      -4: X=0.77150000 Y=0.75000000 Z=0.46490000
      -4: X=0.72850000 Y=0.25000000 Z=0.96490000
      -4: X=0.27150000 Y=0.75000000 Z=0.03510000
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=0.49140000 Y=0.25000000 Z=0.60620000
          MULT= 4          ISPLIT=15
      -5: X=0.50860000 Y=0.75000000 Z=0.39380000
      -5: X=0.99140000 Y=0.25000000 Z=0.89380000
      -5: X=0.00860000 Y=0.75000000 Z=0.10620000
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  -6: X=0.26280000 Y=0.25000000 Z=0.87680000
          MULT= 4          ISPLIT=15
      -6: X=0.73720000 Y=0.75000000 Z=0.12320000
      -6: X=0.76280000 Y=0.25000000 Z=0.62320000
      -6: X=0.23720000 Y=0.75000000 Z=0.37680000
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  -7: X=0.03800000 Y=0.25000000 Z=0.32660000
          MULT= 4          ISPLIT=15
      -7: X=0.96200000 Y=0.75000000 Z=0.67340000
      -7: X=0.53800000 Y=0.25000000 Z=0.17340000
      -7: X=0.46200000 Y=0.75000000 Z=0.82660000
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  -8: X=0.28380000 Y=0.25000000 Z=0.23290000
          MULT= 4          ISPLIT=15
      -8: X=0.71620000 Y=0.75000000 Z=0.76710000
      -8: X=0.78380000 Y=0.25000000 Z=0.26710000
      -8: X=0.21620000 Y=0.75000000 Z=0.73290000
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