P   LATTICE,NONEQUIV.ATOMS   8    1 P1                                         
MODE OF CALC=RELA unit=bohr                                                    
  7.046411  7.664729 12.415501 91.160000 90.530000 90.520000                   
ATOM  -1: X=0.01300000 Y=0.05000000 Z=0.66700000
          MULT= 1          ISPLIT= 8
N          NPT=  781  R0=.000100000 RMT= 1.87        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50600000 Y=0.05800000 Z=0.16700000
          MULT= 1          ISPLIT= 8
N          NPT=  781  R0=.000100000 RMT= 1.87        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.52200000 Y=0.10800000 Z=0.83400000
          MULT= 1          ISPLIT= 8
Na         NPT=  781  R0=.000100000 RMT= 1.97        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Na         NPT=  781  R0=.000100000 RMT= 1.97        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.39500000 Y=0.55100000 Z=0.16100000
          MULT= 1          ISPLIT= 8
Na         NPT=  781  R0=.000100000 RMT= 1.97        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.51400000 Y=0.01800000 Z=0.49700000
          MULT= 1          ISPLIT= 8
Na         NPT=  781  R0=.000100000 RMT= 1.97        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00800000 Y=0.08900000 Z=0.33500000
          MULT= 1          ISPLIT= 8
Na         NPT=  781  R0=.000100000 RMT= 1.97        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.02700000 Y=0.55300000 Z=0.66400000
          MULT= 1          ISPLIT= 8
Li         NPT=  781  R0=.000100000 RMT= 1.75        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000