H   LATTICE,NONEQUIV.ATOMS  12  156 P3m1                                       
MODE OF CALC=RELA unit=bohr                                                    
  5.483229  5.483229 13.612453 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.59179000
          MULT= 1          ISPLIT= 4
Li         NPT=  781  R0=.000100000 RMT= 1.62        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=0.91544000
          MULT= 1          ISPLIT= 4
Li         NPT=  781  R0=.000100000 RMT= 1.62        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=0.33333333 Y=0.66666667 Z=0.66860000
          MULT= 1          ISPLIT= 4
Li         NPT=  781  R0=.000100000 RMT= 1.62        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  -4: X=0.66666667 Y=0.33333333 Z=0.25104000
          MULT= 1          ISPLIT= 4
Li         NPT=  781  R0=.000100000 RMT= 1.62        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=0.66666667 Y=0.33333333 Z=0.49834000
          MULT= 1          ISPLIT= 4
Be         NPT=  781  R0=.000100000 RMT= 1.65        Z:   4.00000              
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=0.16666667
          MULT= 1          ISPLIT= 4
Be         NPT=  781  R0=.000100000 RMT= 1.65        Z:   4.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.66666667 Y=0.33333333 Z=0.00551000
          MULT= 1          ISPLIT= 4
Be         NPT=  781  R0=.000100000 RMT= 1.65        Z:   4.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.00000000 Y=0.00000000 Z=0.33976000
          MULT= 1          ISPLIT= 4
Be         NPT=  781  R0=.000100000 RMT= 1.65        Z:   4.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.00000000 Y=0.00000000 Z=0.83835000
          MULT= 1          ISPLIT= 4
B          NPT=  781  R0=.000100000 RMT= 1.64        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.33333333 Y=0.66666667 Z=0.41227000
          MULT= 1          ISPLIT= 4
B          NPT=  781  R0=.000100000 RMT= 1.64        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.66666667 Y=0.33333333 Z=0.76201000
          MULT= 1          ISPLIT= 4
B          NPT=  781  R0=.000100000 RMT= 1.64        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -12: X=0.00000000 Y=0.00000000 Z=0.08072000
          MULT= 1          ISPLIT= 4
B          NPT=  781  R0=.000100000 RMT= 1.64        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000