P   LATTICE,NONEQUIV.ATOMS   9   58 Pnnm                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.208062 27.465280  6.525224 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.35500000 Y=0.47970000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.64500000 Y=0.52030000 Z=0.00000000
      -1: X=0.14500000 Y=0.97970000 Z=0.50000000
      -1: X=0.85500000 Y=0.02030000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 2.40        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=0.40920000 Y=0.23980000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.59080000 Y=0.76020000 Z=0.00000000
      -2: X=0.09080000 Y=0.73980000 Z=0.50000000
      -2: X=0.90920000 Y=0.26020000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 2.40        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  -3: X=0.08790000 Y=0.57650000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.91210000 Y=0.42350000 Z=0.00000000
      -3: X=0.41210000 Y=0.07650000 Z=0.50000000
      -3: X=0.58790000 Y=0.92350000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 2.40        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=0.02890000 Y=0.10910000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.97110000 Y=0.89090000 Z=0.00000000
      -4: X=0.47110000 Y=0.60910000 Z=0.50000000
      -4: X=0.52890000 Y=0.39090000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 2.40        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  -5: X=0.68710000 Y=0.29400000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.31290000 Y=0.70600000 Z=0.00000000
      -5: X=0.81290000 Y=0.79400000 Z=0.50000000
      -5: X=0.18710000 Y=0.20600000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 2.40        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  -6: X=0.61560000 Y=0.07440000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.38440000 Y=0.92560000 Z=0.00000000
      -6: X=0.88440000 Y=0.57440000 Z=0.50000000
      -6: X=0.11560000 Y=0.42560000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 2.40        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  -7: X=0.06660000 Y=0.29420000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -7: X=0.93340000 Y=0.70580000 Z=0.00000000
      -7: X=0.43340000 Y=0.79420000 Z=0.50000000
      -7: X=0.56660000 Y=0.20580000 Z=0.50000000
Se         NPT=  781  R0=.000050000 RMT= 2.40        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.25180000 Y=0.08670000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -8: X=0.74820000 Y=0.91330000 Z=0.00000000
      -8: X=0.24820000 Y=0.58670000 Z=0.50000000
      -8: X=0.75180000 Y=0.41330000 Z=0.50000000
Se         NPT=  781  R0=.000050000 RMT= 2.40        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.81420000 Y=0.15020000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -9: X=0.18580000 Y=0.84980000 Z=0.00000000
      -9: X=0.68580000 Y=0.65020000 Z=0.50000000
      -9: X=0.31420000 Y=0.34980000 Z=0.50000000
Se         NPT=  781  R0=.000050000 RMT= 2.40        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000