H   LATTICE,NONEQUIV.ATOMS   8  174 P-6                                        
MODE OF CALC=RELA unit=bohr                                                    
 11.914723 11.914723 14.569788 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.34200000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.65800000
Li         NPT=  781  R0=.000100000 RMT= 1.61        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.15800000
          MULT= 2          ISPLIT= 4
      -2: X=0.33333334 Y=0.66666667 Z=0.84200000
Li         NPT=  781  R0=.000100000 RMT= 1.61        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.50000000 Z=0.34200000
          MULT= 6          ISPLIT= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.65800000
      -3: X=0.50000000 Y=0.50000000 Z=0.34200000
      -3: X=0.00000000 Y=0.50000000 Z=0.65800000
      -3: X=0.50000000 Y=0.00000000 Z=0.34200000
      -3: X=0.50000000 Y=0.50000000 Z=0.65800000
Li         NPT=  781  R0=.000100000 RMT= 1.61        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.33340000 Y=0.16666667 Z=0.15800000
          MULT= 6          ISPLIT= 8
      -4: X=0.83326667 Y=0.66660000 Z=0.84200000
      -4: X=0.83333333 Y=0.16673333 Z=0.15800000
      -4: X=0.33340000 Y=0.16666667 Z=0.84200000
      -4: X=0.83326667 Y=0.66660000 Z=0.15800000
      -4: X=0.83333333 Y=0.16673333 Z=0.84200000
Li         NPT=  781  R0=.000100000 RMT= 1.61        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.08300000
          MULT= 2          ISPLIT= 4
      -5: X=0.00000000 Y=0.00000000 Z=0.91700000
O          NPT=  781  R0=.000100000 RMT= 1.20        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=0.33333333 Y=0.66666667 Z=0.41700000
          MULT= 2          ISPLIT= 4
      -6: X=0.33333334 Y=0.66666667 Z=0.58300000
O          NPT=  781  R0=.000100000 RMT= 1.20        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=0.00000000 Y=0.50000000 Z=0.08300000
          MULT= 6          ISPLIT= 8
      -7: X=0.50000000 Y=0.00000000 Z=0.91700000
      -7: X=0.50000000 Y=0.50000000 Z=0.08300000
      -7: X=0.00000000 Y=0.50000000 Z=0.91700000
      -7: X=0.50000000 Y=0.00000000 Z=0.08300000
      -7: X=0.50000000 Y=0.50000000 Z=0.91700000
O          NPT=  781  R0=.000100000 RMT= 1.20        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=0.33340000 Y=0.16666667 Z=0.41700000
          MULT= 6          ISPLIT= 8
      -8: X=0.83326667 Y=0.66660000 Z=0.58300000
      -8: X=0.83333333 Y=0.16673333 Z=0.41700000
      -8: X=0.33340000 Y=0.16666667 Z=0.58300000
      -8: X=0.83326667 Y=0.66660000 Z=0.41700000
      -8: X=0.83333333 Y=0.16673333 Z=0.58300000
O          NPT=  781  R0=.000100000 RMT= 1.20        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000