P   LATTICE,NONEQUIV.ATOMS   6   58 Pnnm                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.842124 21.240522  8.295898 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.32200000 Y=0.42400000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.67800000 Y=0.57600000 Z=0.00000000
      -1: X=0.17800000 Y=0.92400000 Z=0.50000000
      -1: X=0.82200000 Y=0.07600000 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  -2: X=0.05100000 Y=0.65100000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.94900000 Y=0.34900000 Z=0.00000000
      -2: X=0.44900000 Y=0.15100000 Z=0.50000000
      -2: X=0.55100000 Y=0.84900000 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=0.03500000 Y=0.10000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.96500000 Y=0.90000000 Z=0.00000000
      -3: X=0.46500000 Y=0.60000000 Z=0.50000000
      -3: X=0.53500000 Y=0.40000000 Z=0.50000000
Si         NPT=  781  R0=.000100000 RMT= 2.22        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25800000 Y=0.13400000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.74200000 Y=0.86600000 Z=0.00000000
      -4: X=0.24200000 Y=0.63400000 Z=0.50000000
      -4: X=0.75800000 Y=0.36600000 Z=0.50000000
Si         NPT=  781  R0=.000100000 RMT= 2.22        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.60800000 Y=0.04000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.39200000 Y=0.96000000 Z=0.00000000
      -5: X=0.89200000 Y=0.54000000 Z=0.50000000
      -5: X=0.10800000 Y=0.46000000 Z=0.50000000
Si         NPT=  781  R0=.000100000 RMT= 2.22        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.63600000 Y=0.28100000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.36400000 Y=0.71900000 Z=0.00000000
      -6: X=0.86400000 Y=0.78100000 Z=0.50000000
      -6: X=0.13600000 Y=0.21900000 Z=0.50000000
Li         NPT=  781  R0=.000100000 RMT= 2.49        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000