P   LATTICE,NONEQUIV.ATOMS   4   86 P42/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.163713 19.163713  9.560125 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.04500000 Y=0.20800000 Z=0.03800000
          MULT= 8          ISPLIT= 8
      -1: X=0.95500000 Y=0.79200000 Z=0.96200000
      -1: X=0.79200000 Y=0.54500000 Z=0.53800000
      -1: X=0.20800000 Y=0.45500000 Z=0.46200000
      -1: X=0.45500000 Y=0.29200000 Z=0.03800000
      -1: X=0.54500000 Y=0.70800000 Z=0.96200000
      -1: X=0.70800000 Y=0.95500000 Z=0.53800000
      -1: X=0.29200000 Y=0.04500000 Z=0.46200000
Si         NPT=  781  R0=.000100000 RMT= 2.10        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.14300000 Y=0.66900000 Z=0.21800000
          MULT= 8          ISPLIT= 8
      -2: X=0.85700000 Y=0.33100000 Z=0.78200000
      -2: X=0.33100000 Y=0.64300000 Z=0.71800000
      -2: X=0.66900000 Y=0.35700000 Z=0.28200000
      -2: X=0.35700000 Y=0.83100000 Z=0.21800000
      -2: X=0.64300000 Y=0.16900000 Z=0.78200000
      -2: X=0.16900000 Y=0.85700000 Z=0.71800000
      -2: X=0.83100000 Y=0.14300000 Z=0.28200000
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=0.10900000 Y=0.22200000 Z=0.53200000
          MULT= 8          ISPLIT= 8
      -3: X=0.89100000 Y=0.77800000 Z=0.46800000
      -3: X=0.77800000 Y=0.60900000 Z=0.03200000
      -3: X=0.22200000 Y=0.39100000 Z=0.96800000
      -3: X=0.39100000 Y=0.27800000 Z=0.53200000
      -3: X=0.60900000 Y=0.72200000 Z=0.46800000
      -3: X=0.72200000 Y=0.89100000 Z=0.03200000
      -3: X=0.27800000 Y=0.10900000 Z=0.96800000
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=0.53300000 Y=0.06800000 Z=0.25400000
          MULT= 8          ISPLIT= 8
      -4: X=0.46700000 Y=0.93200000 Z=0.74600000
      -4: X=0.93200000 Y=0.03300000 Z=0.75400000
      -4: X=0.06800000 Y=0.96700000 Z=0.24600000
      -4: X=0.96700000 Y=0.43200000 Z=0.25400000
      -4: X=0.03300000 Y=0.56800000 Z=0.74600000
      -4: X=0.56800000 Y=0.46700000 Z=0.75400000
      -4: X=0.43200000 Y=0.53300000 Z=0.24600000
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