P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.685019  6.617443 28.138022 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.40220000 Y=0.25000000 Z=0.41580000
          MULT= 4          ISPLIT= 8
      -1: X=0.59780000 Y=0.75000000 Z=0.58420000
      -1: X=0.90220000 Y=0.25000000 Z=0.08420000
      -1: X=0.09780000 Y=0.75000000 Z=0.91580000
In         NPT=  781  R0=.000010000 RMT= 2.12        Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.32790000 Y=0.25000000 Z=0.76070000
          MULT= 4          ISPLIT= 8
      -2: X=0.67210000 Y=0.75000000 Z=0.23930000
      -2: X=0.82790000 Y=0.25000000 Z=0.73930000
      -2: X=0.17210000 Y=0.75000000 Z=0.26070000
In         NPT=  781  R0=.000010000 RMT= 2.12        Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.39140000 Y=0.25000000 Z=0.07780000
          MULT= 4          ISPLIT= 8
      -3: X=0.60860000 Y=0.75000000 Z=0.92220000
      -3: X=0.89140000 Y=0.25000000 Z=0.42220000
      -3: X=0.10860000 Y=0.75000000 Z=0.57780000
Ti         NPT=  781  R0=.000050000 RMT= 1.74        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.26770000 Y=0.25000000 Z=0.17970000
          MULT= 4          ISPLIT= 8
      -4: X=0.73230000 Y=0.75000000 Z=0.82030000
      -4: X=0.76770000 Y=0.25000000 Z=0.32030000
      -4: X=0.23230000 Y=0.75000000 Z=0.67970000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.15300000 Y=0.25000000 Z=0.00180000
          MULT= 4          ISPLIT= 8
      -5: X=0.84700000 Y=0.75000000 Z=0.99820000
      -5: X=0.65300000 Y=0.25000000 Z=0.49820000
      -5: X=0.34700000 Y=0.75000000 Z=0.50180000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.13650000 Y=0.25000000 Z=0.35900000
          MULT= 4          ISPLIT= 8
      -6: X=0.86350000 Y=0.75000000 Z=0.64100000
      -6: X=0.63650000 Y=0.25000000 Z=0.14100000
      -6: X=0.36350000 Y=0.75000000 Z=0.85900000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.06100000 Y=0.25000000 Z=0.82750000
          MULT= 4          ISPLIT= 8
      -7: X=0.93900000 Y=0.75000000 Z=0.17250000
      -7: X=0.56100000 Y=0.25000000 Z=0.67250000
      -7: X=0.43900000 Y=0.75000000 Z=0.32750000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -8: X=0.06880000 Y=0.25000000 Z=0.54690000
          MULT= 4          ISPLIT= 8
      -8: X=0.93120000 Y=0.75000000 Z=0.45310000
      -8: X=0.56880000 Y=0.25000000 Z=0.95310000
      -8: X=0.43120000 Y=0.75000000 Z=0.04690000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000