P   LATTICE,NONEQUIV.ATOMS   5   61 Pbca    
MODE OF CALC=RELA unit=bohr
 11.767325 17.444062 20.511087 90.000000 90.000000 90.000000
ATOM  -1: X=0.12180000 Y=0.10950000 Z=0.07550000
          MULT= 8          ISPLIT=15
      -1: X=0.87820000 Y=0.89050000 Z=0.92450000
      -1: X=0.62180000 Y=0.10950000 Z=0.42450000
      -1: X=0.37820000 Y=0.89050000 Z=0.57550000
      -1: X=0.37820000 Y=0.60950000 Z=0.07550000
      -1: X=0.62180000 Y=0.39050000 Z=0.92450000
      -1: X=0.87820000 Y=0.60950000 Z=0.42450000
      -1: X=0.12180000 Y=0.39050000 Z=0.57550000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.06130000 Y=0.28290000 Z=0.23640000
          MULT= 8          ISPLIT=15
      -2: X=0.93870000 Y=0.71710000 Z=0.76360000
      -2: X=0.56130000 Y=0.28290000 Z=0.26360000
      -2: X=0.43870000 Y=0.71710000 Z=0.73640000
      -2: X=0.43870000 Y=0.78290000 Z=0.23640000
      -2: X=0.56130000 Y=0.21710000 Z=0.76360000
      -2: X=0.93870000 Y=0.78290000 Z=0.26360000
      -2: X=0.06130000 Y=0.21710000 Z=0.73640000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.31110000 Y=0.44790000 Z=0.23860000
          MULT= 8          ISPLIT=15
      -3: X=0.68890000 Y=0.55210000 Z=0.76140000
      -3: X=0.81110000 Y=0.44790000 Z=0.26140000
      -3: X=0.18890000 Y=0.55210000 Z=0.73860000
      -3: X=0.18890000 Y=0.94790000 Z=0.23860000
      -3: X=0.81110000 Y=0.05210000 Z=0.76140000
      -3: X=0.68890000 Y=0.94790000 Z=0.26140000
      -3: X=0.31110000 Y=0.05210000 Z=0.73860000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25380000 Y=0.04360000 Z=0.41830000
          MULT= 8          ISPLIT=15
      -4: X=0.74620000 Y=0.95640000 Z=0.58170000
      -4: X=0.75380000 Y=0.04360000 Z=0.08170000
      -4: X=0.24620000 Y=0.95640000 Z=0.91830000
      -4: X=0.24620000 Y=0.54360000 Z=0.41830000
      -4: X=0.75380000 Y=0.45640000 Z=0.58170000
      -4: X=0.74620000 Y=0.54360000 Z=0.08170000
      -4: X=0.25380000 Y=0.45640000 Z=0.91830000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.49860000 Y=0.20890000 Z=0.06930000
          MULT= 8          ISPLIT=15
      -5: X=0.50140000 Y=0.79110000 Z=0.93070000
      -5: X=0.99860000 Y=0.20890000 Z=0.43070000
      -5: X=0.00140000 Y=0.79110000 Z=0.56930000
      -5: X=0.00140000 Y=0.70890000 Z=0.06930000
      -5: X=0.99860000 Y=0.29110000 Z=0.93070000
      -5: X=0.50140000 Y=0.70890000 Z=0.43070000
      -5: X=0.49860000 Y=0.29110000 Z=0.56930000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000