R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 13.885708 13.885708 13.745866 90.000000 90.000000120.000000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
K          NPT=  781  R0=.000050000 RMT= 2.50000     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  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
As         NPT=  781  R0=.000050000 RMT= 1.65        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.22540000 Y=0.26730000 Z=0.92160000
          MULT= 6          ISPLIT= 8
      -3: X=0.77460000 Y=0.73270000 Z=0.07840000
      -3: X=0.26730000 Y=0.92160000 Z=0.22540000
      -3: X=0.73270000 Y=0.07840000 Z=0.77460000
      -3: X=0.92160000 Y=0.22540000 Z=0.26730000
      -3: X=0.07840000 Y=0.77460000 Z=0.73270000
F          NPT=  781  R0=.000100000 RMT= 1.57        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000