P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.253319 14.016099 20.254085 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 1.80        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=0.00557000 Y=0.25000000 Z=0.63248000
          MULT= 4          ISPLIT= 8
      -2: X=0.99443000 Y=0.75000000 Z=0.36752000
      -2: X=0.50557000 Y=0.25000000 Z=0.86752000
      -2: X=0.49443000 Y=0.75000000 Z=0.13248000
K          NPT=  781  R0=.000050000 RMT= 2.48        Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.40920000 Y=0.25000000 Z=0.21650000
          MULT= 4          ISPLIT= 8
      -3: X=0.59080000 Y=0.75000000 Z=0.78350000
      -3: X=0.90920000 Y=0.25000000 Z=0.28350000
      -3: X=0.09080000 Y=0.75000000 Z=0.71650000
K          NPT=  781  R0=.000050000 RMT= 2.48        Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.21670000 Y=0.05380000 Z=0.43350000
          MULT= 8          ISPLIT= 8
      -4: X=0.78330000 Y=0.94620000 Z=0.56650000
      -4: X=0.71670000 Y=0.05380000 Z=0.06650000
      -4: X=0.28330000 Y=0.94620000 Z=0.93350000
      -4: X=0.28330000 Y=0.55380000 Z=0.93350000
      -4: X=0.71670000 Y=0.44620000 Z=0.06650000
      -4: X=0.78330000 Y=0.55380000 Z=0.56650000
      -4: X=0.21670000 Y=0.44620000 Z=0.43350000
F          NPT=  781  R0=.000100000 RMT= 1.72        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.11420000 Y=0.53840000 Z=0.16189000
          MULT= 8          ISPLIT= 8
      -5: X=0.88580000 Y=0.46160000 Z=0.83811000
      -5: X=0.61420000 Y=0.53840000 Z=0.33811000
      -5: X=0.38580000 Y=0.46160000 Z=0.66189000
      -5: X=0.38580000 Y=0.03840000 Z=0.66189000
      -5: X=0.61420000 Y=0.96160000 Z=0.33811000
      -5: X=0.88580000 Y=0.03840000 Z=0.83811000
      -5: X=0.11420000 Y=0.96160000 Z=0.16189000
F          NPT=  781  R0=.000100000 RMT= 1.72        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.08590000 Y=0.25000000 Z=0.01140000
          MULT= 4          ISPLIT= 8
      -6: X=0.91410000 Y=0.75000000 Z=0.98860000
      -6: X=0.58590000 Y=0.25000000 Z=0.48860000
      -6: X=0.41410000 Y=0.75000000 Z=0.51140000
F          NPT=  781  R0=.000100000 RMT= 1.72        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000