P   LATTICE,NONEQUIV.ATOMS   6   61 Pbca    
MODE OF CALC=RELA unit=bohr
 19.163713 23.857792 24.477623 90.000000 90.000000 90.000000
ATOM  -1: X=0.06000000 Y=0.01540000 Z=0.07040000
          MULT= 8          ISPLIT=15
      -1: X=0.94000000 Y=0.98460000 Z=0.92960000
      -1: X=0.56000000 Y=0.01540000 Z=0.42960000
      -1: X=0.44000000 Y=0.98460000 Z=0.57040000
      -1: X=0.44000000 Y=0.51540000 Z=0.07040000
      -1: X=0.56000000 Y=0.48460000 Z=0.92960000
      -1: X=0.94000000 Y=0.51540000 Z=0.42960000
      -1: X=0.06000000 Y=0.48460000 Z=0.57040000
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=0.16080000 Y=0.19280000 Z=0.36410000
          MULT= 8          ISPLIT=15
      -2: X=0.83920000 Y=0.80720000 Z=0.63590000
      -2: X=0.66080000 Y=0.19280000 Z=0.13590000
      -2: X=0.33920000 Y=0.80720000 Z=0.86410000
      -2: X=0.33920000 Y=0.69280000 Z=0.36410000
      -2: X=0.66080000 Y=0.30720000 Z=0.63590000
      -2: X=0.83920000 Y=0.69280000 Z=0.13590000
      -2: X=0.16080000 Y=0.30720000 Z=0.86410000
Cs         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  55.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.28010000 Y=0.06400000 Z=0.00290000
          MULT= 8          ISPLIT=15
      -3: X=0.71990000 Y=0.93600000 Z=0.99710000
      -3: X=0.78010000 Y=0.06400000 Z=0.49710000
      -3: X=0.21990000 Y=0.93600000 Z=0.50290000
      -3: X=0.21990000 Y=0.56400000 Z=0.00290000
      -3: X=0.78010000 Y=0.43600000 Z=0.99710000
      -3: X=0.71990000 Y=0.56400000 Z=0.49710000
      -3: X=0.28010000 Y=0.43600000 Z=0.50290000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.34420000 Y=0.34150000 Z=0.11460000
          MULT= 8          ISPLIT=15
      -4: X=0.65580000 Y=0.65850000 Z=0.88540000
      -4: X=0.84420000 Y=0.34150000 Z=0.38540000
      -4: X=0.15580000 Y=0.65850000 Z=0.61460000
      -4: X=0.15580000 Y=0.84150000 Z=0.11460000
      -4: X=0.84420000 Y=0.15850000 Z=0.88540000
      -4: X=0.65580000 Y=0.84150000 Z=0.38540000
      -4: X=0.34420000 Y=0.15850000 Z=0.61460000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.08990000 Y=0.48450000 Z=0.28110000
          MULT= 8          ISPLIT=15
      -5: X=0.91010000 Y=0.51550000 Z=0.71890000
      -5: X=0.58990000 Y=0.48450000 Z=0.21890000
      -5: X=0.41010000 Y=0.51550000 Z=0.78110000
      -5: X=0.41010000 Y=0.98450000 Z=0.28110000
      -5: X=0.58990000 Y=0.01550000 Z=0.71890000
      -5: X=0.91010000 Y=0.98450000 Z=0.21890000
      -5: X=0.08990000 Y=0.01550000 Z=0.78110000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.02470000 Y=0.20680000 Z=0.10520000
          MULT= 8          ISPLIT=15
      -6: X=0.97530000 Y=0.79320000 Z=0.89480000
      -6: X=0.52470000 Y=0.20680000 Z=0.39480000
      -6: X=0.47530000 Y=0.79320000 Z=0.60520000
      -6: X=0.47530000 Y=0.70680000 Z=0.10520000
      -6: X=0.52470000 Y=0.29320000 Z=0.89480000
      -6: X=0.97530000 Y=0.70680000 Z=0.39480000
      -6: X=0.02470000 Y=0.29320000 Z=0.60520000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000