P   LATTICE,NONEQUIV.ATOMS   8   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.673939 18.587346  6.602703 90.000000 90.000000106.360000                   
ATOM  -1: X=0.80600000 Y=0.87500000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.19400000 Y=0.12500000 Z=0.75000000
Ta         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.32800000 Y=0.54800000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.67200000 Y=0.45200000 Z=0.75000000
Ta         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.08500000 Y=0.92400000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.91500000 Y=0.07600000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.13100000 Y=0.29900000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.86900000 Y=0.70100000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.84900000 Y=0.42500000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.15100000 Y=0.57500000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.36600000 Y=0.07800000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.63400000 Y=0.92200000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.61700000 Y=0.24200000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.38300000 Y=0.75800000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.59900000 Y=0.61800000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.40100000 Y=0.38200000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000