P   LATTICE,NONEQUIV.ATOMS   9   58 Pnnm                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.449714 26.554999  6.278048 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.34591000 Y=0.47965000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.65409000 Y=0.52035000 Z=0.00000000
      -1: X=0.15409000 Y=0.97965000 Z=0.50000000
      -1: X=0.84591000 Y=0.02035000 Z=0.50000000
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=0.41352000 Y=0.24466000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.58648000 Y=0.75534000 Z=0.00000000
      -2: X=0.08648000 Y=0.74466000 Z=0.50000000
      -2: X=0.91352000 Y=0.25534000 Z=0.50000000
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  -3: X=0.08769000 Y=0.57925000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.91231000 Y=0.42075000 Z=0.00000000
      -3: X=0.41231000 Y=0.07925000 Z=0.50000000
      -3: X=0.58769000 Y=0.92075000 Z=0.50000000
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  -4: X=0.03034000 Y=0.10972000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.96966000 Y=0.89028000 Z=0.00000000
      -4: X=0.46966000 Y=0.60972000 Z=0.50000000
      -4: X=0.53034000 Y=0.39028000 Z=0.50000000
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  -5: X=0.69223000 Y=0.29233000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.30777000 Y=0.70767000 Z=0.00000000
      -5: X=0.80777000 Y=0.79233000 Z=0.50000000
      -5: X=0.19223000 Y=0.20767000 Z=0.50000000
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  -6: X=0.61982000 Y=0.07783000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.38018000 Y=0.92217000 Z=0.00000000
      -6: X=0.88018000 Y=0.57783000 Z=0.50000000
      -6: X=0.11982000 Y=0.42217000 Z=0.50000000
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  -7: X=0.06827000 Y=0.29300000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -7: X=0.93173000 Y=0.70700000 Z=0.00000000
      -7: X=0.43173000 Y=0.79300000 Z=0.50000000
      -7: X=0.56827000 Y=0.20700000 Z=0.50000000
S          NPT=  781  R0=.000100000 RMT= 2.12        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  -8: X=0.25469000 Y=0.08771000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -8: X=0.74531000 Y=0.91229000 Z=0.00000000
      -8: X=0.24531000 Y=0.58771000 Z=0.50000000
      -8: X=0.75469000 Y=0.41229000 Z=0.50000000
S          NPT=  781  R0=.000100000 RMT= 2.12        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  -9: X=0.81559000 Y=0.14973000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -9: X=0.18441000 Y=0.85027000 Z=0.00000000
      -9: X=0.68441000 Y=0.64973000 Z=0.50000000
      -9: X=0.31559000 Y=0.35027000 Z=0.50000000
S          NPT=  781  R0=.000100000 RMT= 2.12        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000