P   LATTICE,NONEQUIV.ATOMS   4   86 P42/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.820161 18.820161  9.423875 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14275000 Y=0.66613000 Z=0.21530000
          MULT= 8          ISPLIT= 8
      -1: X=0.85725000 Y=0.33387000 Z=0.78470000
      -1: X=0.33387000 Y=0.64275000 Z=0.71530000
      -1: X=0.66613000 Y=0.35725000 Z=0.28470000
      -1: X=0.35725000 Y=0.83387000 Z=0.21530000
      -1: X=0.64275000 Y=0.16613000 Z=0.78470000
      -1: X=0.16613000 Y=0.85725000 Z=0.71530000
      -1: X=0.83387000 Y=0.14275000 Z=0.28470000
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  -2: X=0.11009000 Y=0.22151000 Z=0.52950000
          MULT= 8          ISPLIT= 8
      -2: X=0.88991000 Y=0.77849000 Z=0.47050000
      -2: X=0.77849000 Y=0.61009000 Z=0.02950000
      -2: X=0.22151000 Y=0.38991000 Z=0.97050000
      -2: X=0.38991000 Y=0.27849000 Z=0.52950000
      -2: X=0.61009000 Y=0.72151000 Z=0.47050000
      -2: X=0.72151000 Y=0.88991000 Z=0.02950000
      -2: X=0.27849000 Y=0.11009000 Z=0.97050000
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=0.53342000 Y=0.06957000 Z=0.25930000
          MULT= 8          ISPLIT= 8
      -3: X=0.46658000 Y=0.93043000 Z=0.74070000
      -3: X=0.93043000 Y=0.03342000 Z=0.75930000
      -3: X=0.06957000 Y=0.96658000 Z=0.24070000
      -3: X=0.96658000 Y=0.43043000 Z=0.25930000
      -3: X=0.03342000 Y=0.56957000 Z=0.74070000
      -3: X=0.56957000 Y=0.46658000 Z=0.75930000
      -3: X=0.43043000 Y=0.53342000 Z=0.24070000
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=0.04395000 Y=0.20812000 Z=0.03540000
          MULT= 8          ISPLIT= 8
      -4: X=0.95605000 Y=0.79188000 Z=0.96460000
      -4: X=0.79188000 Y=0.54395000 Z=0.53540000
      -4: X=0.20812000 Y=0.45605000 Z=0.46460000
      -4: X=0.45605000 Y=0.29188000 Z=0.03540000
      -4: X=0.54395000 Y=0.70812000 Z=0.96460000
      -4: X=0.70812000 Y=0.95605000 Z=0.53540000
      -4: X=0.29188000 Y=0.04395000 Z=0.46460000
P          NPT=  781  R0=.000100000 RMT= 2.10        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000