H   LATTICE,NONEQUIV.ATOMS   8  190 P-62c   
MODE OF CALC=RELA unit=bohr
 17.555556 17.555556 15.609138 90.000000 90.000000120.000000
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.66666667 Y=0.33333333 Z=0.75000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.66666667 Y=0.33333333 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.33333333 Y=0.66666667 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT=   2.00000   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  -3: X=0.29000000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=15
      -3: X=0.71000000 Y=0.71000000 Z=0.50000000
      -3: X=0.00000000 Y=0.29000000 Z=0.50000000
      -3: X=0.00000000 Y=0.29000000 Z=0.00000000
      -3: X=0.29000000 Y=0.00000000 Z=0.50000000
      -3: X=0.71000000 Y=0.71000000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT=   2.00000   Z:  19.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.36000000 Y=0.38200000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -4: X=0.02200000 Y=0.64000000 Z=0.25000000
      -4: X=0.38200000 Y=0.36000000 Z=0.75000000
      -4: X=0.61800000 Y=0.97800000 Z=0.25000000
      -4: X=0.97800000 Y=0.61800000 Z=0.75000000
      -4: X=0.64000000 Y=0.02200000 Z=0.75000000
C          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   6.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.03400000 Y=0.50900000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -5: X=0.47500000 Y=0.96600000 Z=0.25000000
      -5: X=0.50900000 Y=0.03400000 Z=0.75000000
      -5: X=0.49100000 Y=0.52500000 Z=0.25000000
      -5: X=0.52500000 Y=0.49100000 Z=0.75000000
      -5: X=0.96600000 Y=0.47500000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.21500000 Y=0.36700000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -6: X=0.15200000 Y=0.78500000 Z=0.25000000
      -6: X=0.36700000 Y=0.21500000 Z=0.75000000
      -6: X=0.63300000 Y=0.84800000 Z=0.25000000
      -6: X=0.84800000 Y=0.63300000 Z=0.75000000
      -6: X=0.78500000 Y=0.15200000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.37000000 Y=0.25000000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -7: X=0.88000000 Y=0.63000000 Z=0.25000000
      -7: X=0.25000000 Y=0.37000000 Z=0.75000000
      -7: X=0.75000000 Y=0.12000000 Z=0.25000000
      -7: X=0.12000000 Y=0.75000000 Z=0.75000000
      -7: X=0.63000000 Y=0.88000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.33333333 Y=0.66666667 Z=0.04000000
          MULT= 4          ISPLIT=15
      -8: X=0.33333334 Y=0.66666667 Z=0.46000000
      -8: X=0.66666667 Y=0.33333333 Z=0.54000000
      -8: X=0.66666666 Y=0.33333333 Z=0.96000000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000