B   LATTICE,NONEQUIV.ATOMS   4  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 14.437508 14.437508 27.627796 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.16900000 Y=0.66900000 Z=0.14900000
          MULT= 8          ISPLIT= 8
      -1: X=0.83100000 Y=0.33100000 Z=0.85100000
      -1: X=0.33100000 Y=0.16900000 Z=0.14900000
      -1: X=0.66900000 Y=0.83100000 Z=0.85100000
      -1: X=0.83100000 Y=0.33100000 Z=0.14900000
      -1: X=0.16900000 Y=0.66900000 Z=0.85100000
      -1: X=0.66900000 Y=0.83100000 Z=0.14900000
      -1: X=0.33100000 Y=0.16900000 Z=0.85100000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.61200000 Y=0.11200000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.38800000 Y=0.88800000 Z=0.00000000
      -3: X=0.88800000 Y=0.61200000 Z=0.00000000
      -3: X=0.11200000 Y=0.38800000 Z=0.00000000
Si         NPT=  781  R0=.000100000 RMT= 2.27        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -4: X=0.00000000 Y=0.00000000 Z=0.75000000
Si         NPT=  781  R0=.000100000 RMT= 2.27        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000