B   LATTICE,NONEQUIV.ATOMS   5   87 I4/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 25.785124 25.785124 15.146344 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.06355000 Y=0.35226000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.93645000 Y=0.64774000 Z=0.00000000
      -1: X=0.64774000 Y=0.06355000 Z=0.00000000
      -1: X=0.35226000 Y=0.93645000 Z=0.00000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.17426000 Y=0.11637000 Z=0.24676000
          MULT= 8          ISPLIT= 8
      -2: X=0.82574000 Y=0.88363000 Z=0.75324000
      -2: X=0.88363000 Y=0.17426000 Z=0.24676000
      -2: X=0.11637000 Y=0.82574000 Z=0.75324000
      -2: X=0.82574000 Y=0.88363000 Z=0.24676000
      -2: X=0.17426000 Y=0.11637000 Z=0.75324000
      -2: X=0.11637000 Y=0.82574000 Z=0.24676000
      -2: X=0.88363000 Y=0.17426000 Z=0.75324000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.02906000 Y=0.14485000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.97094000 Y=0.85515000 Z=0.00000000
      -3: X=0.85515000 Y=0.02906000 Z=0.00000000
      -3: X=0.14485000 Y=0.97094000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 1.99        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=0.41594000 Y=0.18265000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.58406000 Y=0.81735000 Z=0.00000000
      -4: X=0.81735000 Y=0.41594000 Z=0.00000000
      -4: X=0.18265000 Y=0.58406000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
O          NPT=  781  R0=.000100000 RMT= 1.80        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000