P   LATTICE,NONEQUIV.ATOMS   6   61 Pbca    
MODE OF CALC=RELA unit=bohr
 14.105483 14.793910 21.198759 90.000000 90.000000 90.000000
ATOM  -1: X=0.25666000 Y=0.37278000 Z=0.02404000
          MULT= 8          ISPLIT=15
      -1: X=0.74334000 Y=0.62722000 Z=0.97596000
      -1: X=0.75666000 Y=0.37278000 Z=0.47596000
      -1: X=0.24334000 Y=0.62722000 Z=0.52404000
      -1: X=0.24334000 Y=0.87278000 Z=0.02404000
      -1: X=0.75666000 Y=0.12722000 Z=0.97596000
      -1: X=0.74334000 Y=0.87278000 Z=0.47596000
      -1: X=0.25666000 Y=0.12722000 Z=0.52404000
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=0.00301000 Y=0.13065000 Z=0.25753000
          MULT= 8          ISPLIT=15
      -2: X=0.99699000 Y=0.86935000 Z=0.74247000
      -2: X=0.50301000 Y=0.13065000 Z=0.24247000
      -2: X=0.49699000 Y=0.86935000 Z=0.75753000
      -2: X=0.49699000 Y=0.63065000 Z=0.25753000
      -2: X=0.50301000 Y=0.36935000 Z=0.74247000
      -2: X=0.99699000 Y=0.63065000 Z=0.24247000
      -2: X=0.00301000 Y=0.36935000 Z=0.75753000
Ta         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  73.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.22940000 Y=0.15920000 Z=0.30940000
          MULT= 8          ISPLIT=15
      -3: X=0.77060000 Y=0.84080000 Z=0.69060000
      -3: X=0.72940000 Y=0.15920000 Z=0.19060000
      -3: X=0.27060000 Y=0.84080000 Z=0.80940000
      -3: X=0.27060000 Y=0.65920000 Z=0.30940000
      -3: X=0.72940000 Y=0.34080000 Z=0.69060000
      -3: X=0.77060000 Y=0.65920000 Z=0.19060000
      -3: X=0.22940000 Y=0.34080000 Z=0.80940000
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=0.03530000 Y=0.10850000 Z=0.08780000
          MULT= 8          ISPLIT=15
      -4: X=0.96470000 Y=0.89150000 Z=0.91220000
      -4: X=0.53530000 Y=0.10850000 Z=0.41220000
      -4: X=0.46470000 Y=0.89150000 Z=0.58780000
      -4: X=0.46470000 Y=0.60850000 Z=0.08780000
      -4: X=0.53530000 Y=0.39150000 Z=0.91220000
      -4: X=0.96470000 Y=0.60850000 Z=0.41220000
      -4: X=0.03530000 Y=0.39150000 Z=0.58780000
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=0.02700000 Y=0.38430000 Z=0.23330000
          MULT= 8          ISPLIT=15
      -5: X=0.97300000 Y=0.61570000 Z=0.76670000
      -5: X=0.52700000 Y=0.38430000 Z=0.26670000
      -5: X=0.47300000 Y=0.61570000 Z=0.73330000
      -5: X=0.47300000 Y=0.88430000 Z=0.23330000
      -5: X=0.52700000 Y=0.11570000 Z=0.76670000
      -5: X=0.97300000 Y=0.88430000 Z=0.26670000
      -5: X=0.02700000 Y=0.11570000 Z=0.73330000
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=0.40130000 Y=0.09850000 Z=0.07180000
          MULT= 8          ISPLIT=15
      -6: X=0.59870000 Y=0.90150000 Z=0.92820000
      -6: X=0.90130000 Y=0.09850000 Z=0.42820000
      -6: X=0.09870000 Y=0.90150000 Z=0.57180000
      -6: X=0.09870000 Y=0.59850000 Z=0.07180000
      -6: X=0.90130000 Y=0.40150000 Z=0.92820000
      -6: X=0.59870000 Y=0.59850000 Z=0.42820000
      -6: X=0.40130000 Y=0.40150000 Z=0.57180000
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