P   LATTICE,NONEQUIV.ATOMS   4  123 P4/mmm                                     
MODE OF CALC=RELA unit=bohr                                                    
 11.272216 11.272216  6.990097 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
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=-2
Al         NPT=  781  R0=.000100000 RMT= 1.69        Z:  13.00000              
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=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT=-2
F          NPT=  781  R0=.000100000 RMT= 1.78        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.21900000 Y=0.21900000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.78100000 Y=0.78100000 Z=0.00000000
      -4: X=0.78100000 Y=0.21900000 Z=0.00000000
      -4: X=0.21900000 Y=0.78100000 Z=0.00000000
F          NPT=  781  R0=.000100000 RMT= 1.78        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000