H   LATTICE,NONEQUIV.ATOMS   7  173 P63                                        
MODE OF CALC=RELA unit=bohr                                                    
 25.579333 25.579333 12.559498 90.000000 90.000000120.000000                   
ATOM  -1: X=0.32100000 Y=0.00590000 Z=0.40700000
          MULT= 6          ISPLIT= 8
      -1: X=0.31510000 Y=0.32100000 Z=0.90700000
      -1: X=0.99410000 Y=0.31510000 Z=0.40700000
      -1: X=0.67900000 Y=0.99410000 Z=0.90700000
      -1: X=0.68490000 Y=0.67900000 Z=0.40700000
      -1: X=0.00590000 Y=0.68490000 Z=0.90700000
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  -2: X=0.00000000 Y=0.00000000 Z=0.10400000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.60400000
Ti         NPT=  781  R0=.000050000 RMT= 2.50000     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=0.33333333 Y=0.66666667 Z=0.27200000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666666 Y=0.33333333 Z=0.77200000
Ti         NPT=  781  R0=.000050000 RMT= 2.50000     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=0.33333333 Y=0.66666667 Z=0.77300000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666666 Y=0.33333333 Z=0.27300000
Ti         NPT=  781  R0=.000050000 RMT= 2.50000     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=0.17880000 Y=0.15870000 Z=0.35200000
          MULT= 6          ISPLIT= 8
      -5: X=0.02010000 Y=0.17880000 Z=0.85200000
      -5: X=0.84130000 Y=0.02010000 Z=0.35200000
      -5: X=0.82120000 Y=0.84130000 Z=0.85200000
      -5: X=0.97990000 Y=0.82120000 Z=0.35200000
      -5: X=0.15870000 Y=0.97990000 Z=0.85200000
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  -6: X=0.48130000 Y=0.19860000 Z=0.01680000
          MULT= 6          ISPLIT= 8
      -6: X=0.28270000 Y=0.48130000 Z=0.51680000
      -6: X=0.80140000 Y=0.28270000 Z=0.01680000
      -6: X=0.51870000 Y=0.80140000 Z=0.51680000
      -6: X=0.71730000 Y=0.51870000 Z=0.01680000
      -6: X=0.19860000 Y=0.71730000 Z=0.51680000
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  -7: X=0.14320000 Y=0.52900000 Z=0.01520000
          MULT= 6          ISPLIT= 8
      -7: X=0.61420000 Y=0.14320000 Z=0.51520000
      -7: X=0.47100000 Y=0.61420000 Z=0.01520000
      -7: X=0.85680000 Y=0.47100000 Z=0.51520000
      -7: X=0.38580000 Y=0.85680000 Z=0.01520000
      -7: X=0.52900000 Y=0.38580000 Z=0.51520000
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