F   LATTICE,NONEQUIV.ATOMS   5   43 Fdd2                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.059562 20.488411 40.695252 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.85010000
          MULT= 2          ISPLIT= 8
      -1: X=0.25000000 Y=0.25000000 Z=0.10010000
Ti         NPT=  781  R0=.000050000 RMT= 2.46        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  -2: X=0.38430000 Y=0.06370000 Z=0.19070000
          MULT= 4          ISPLIT= 8
      -2: X=0.61570000 Y=0.93630000 Z=0.19070000
      -2: X=0.86570000 Y=0.31370000 Z=0.44070000
      -2: X=0.63430000 Y=0.18630000 Z=0.44070000
P          NPT=  781  R0=.000100000 RMT= 1.83        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=0.01380000 Y=0.22580000 Z=0.02150000
          MULT= 4          ISPLIT= 8
      -3: X=0.98620000 Y=0.77420000 Z=0.02150000
      -3: X=0.23620000 Y=0.47580000 Z=0.27150000
      -3: X=0.26380000 Y=0.02420000 Z=0.27150000
S          NPT=  781  R0=.000100000 RMT= 1.93        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.23510000 Y=0.02720000 Z=0.11260000
          MULT= 4          ISPLIT= 8
      -4: X=0.76490000 Y=0.97280000 Z=0.11260000
      -4: X=0.01490000 Y=0.27720000 Z=0.36260000
      -4: X=0.48510000 Y=0.22280000 Z=0.36260000
S          NPT=  781  R0=.000100000 RMT= 1.93        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00620000 Y=0.26410000 Z=0.17640000
          MULT= 4          ISPLIT= 8
      -5: X=0.99380000 Y=0.73590000 Z=0.17640000
      -5: X=0.24380000 Y=0.51410000 Z=0.42640000
      -5: X=0.25620000 Y=0.98590000 Z=0.42640000
S          NPT=  781  R0=.000100000 RMT= 1.93        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000