H   LATTICE,NONEQUIV.ATOMS   9  145 P32                                        
MODE OF CALC=RELA unit=bohr                                                    
 21.761897 21.761897 15.875211 90.000000 90.000000120.000000                   
ATOM  -1: X=0.44261000 Y=0.70517000 Z=0.25020000
          MULT= 3          ISPLIT= 8
      -1: X=0.29483000 Y=0.73744000 Z=0.91686667
      -1: X=0.26256000 Y=0.55739000 Z=0.58353333
Be         NPT=  781  R0=.000100000 RMT= 1.53        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  -2: X=0.55735000 Y=0.26258000 Z=0.30075000
          MULT= 3          ISPLIT= 8
      -2: X=0.73742000 Y=0.29477000 Z=0.96741667
      -2: X=0.70523000 Y=0.44265000 Z=0.63408333
Be         NPT=  781  R0=.000100000 RMT= 1.53        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  -3: X=0.41155000 Y=0.41152000 Z=0.10876000
          MULT= 3          ISPLIT= 8
      -3: X=0.58848000 Y=0.00003000 Z=0.77542667
      -3: X=0.99997000 Y=0.58845000 Z=0.44209333
Be         NPT=  781  R0=.000100000 RMT= 1.53        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  -4: X=0.27647000 Y=0.70016000 Z=0.34590000
          MULT= 3          ISPLIT= 8
      -4: X=0.29984000 Y=0.57631000 Z=0.01256667
      -4: X=0.42369000 Y=0.72353000 Z=0.67923333
Cl         NPT=  781  R0=.000100000 RMT= 1.78        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.57625000 Y=0.29972000 Z=0.53843000
          MULT= 3          ISPLIT= 8
      -5: X=0.70028000 Y=0.27653000 Z=0.20509667
      -5: X=0.72347000 Y=0.42375000 Z=0.87176333
Cl         NPT=  781  R0=.000100000 RMT= 1.78        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.23907000 Y=0.38168000 Z=0.00641000
          MULT= 3          ISPLIT= 8
      -6: X=0.61832000 Y=0.85739000 Z=0.67307667
      -6: X=0.14261000 Y=0.76093000 Z=0.33974333
Cl         NPT=  781  R0=.000100000 RMT= 1.78        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.53727000 Y=0.07966000 Z=0.25678000
          MULT= 3          ISPLIT= 8
      -7: X=0.92034000 Y=0.45761000 Z=0.92344667
      -7: X=0.54239000 Y=0.46273000 Z=0.59011333
Cl         NPT=  781  R0=.000100000 RMT= 1.78        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.38162000 Y=0.23909000 Z=0.21136000
          MULT= 3          ISPLIT= 8
      -8: X=0.76091000 Y=0.14253000 Z=0.87802667
      -8: X=0.85747000 Y=0.61838000 Z=0.54469333
Cl         NPT=  781  R0=.000100000 RMT= 1.78        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.46296000 Y=0.54247000 Z=0.29404000
          MULT= 3          ISPLIT= 8
      -9: X=0.45753000 Y=0.92049000 Z=0.96070667
      -9: X=0.07951000 Y=0.53704000 Z=0.62737333
Cl         NPT=  781  R0=.000100000 RMT= 1.78        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000