P   LATTICE,NONEQUIV.ATOMS   4   86 P42/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.320560 19.320560  9.805789 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15250000 Y=0.66530000 Z=0.21850000
          MULT= 8          ISPLIT= 8
      -1: X=0.84750000 Y=0.33470000 Z=0.78150000
      -1: X=0.33470000 Y=0.65250000 Z=0.71850000
      -1: X=0.66530000 Y=0.34750000 Z=0.28150000
      -1: X=0.34750000 Y=0.83470000 Z=0.21850000
      -1: X=0.65250000 Y=0.16530000 Z=0.78150000
      -1: X=0.16530000 Y=0.84750000 Z=0.71850000
      -1: X=0.83470000 Y=0.15250000 Z=0.28150000
Nb         NPT=  781  R0=.000010000 RMT= 2.48        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.10430000 Y=0.23350000 Z=0.52300000
          MULT= 8          ISPLIT= 8
      -2: X=0.89570000 Y=0.76650000 Z=0.47700000
      -2: X=0.76650000 Y=0.60430000 Z=0.02300000
      -2: X=0.23350000 Y=0.39570000 Z=0.97700000
      -2: X=0.39570000 Y=0.26650000 Z=0.52300000
      -2: X=0.60430000 Y=0.73350000 Z=0.47700000
      -2: X=0.73350000 Y=0.89570000 Z=0.02300000
      -2: X=0.26650000 Y=0.10430000 Z=0.97700000
Nb         NPT=  781  R0=.000010000 RMT= 2.48        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.53640000 Y=0.06030000 Z=0.26300000
          MULT= 8          ISPLIT= 8
      -3: X=0.46360000 Y=0.93970000 Z=0.73700000
      -3: X=0.93970000 Y=0.03640000 Z=0.76300000
      -3: X=0.06030000 Y=0.96360000 Z=0.23700000
      -3: X=0.96360000 Y=0.43970000 Z=0.26300000
      -3: X=0.03640000 Y=0.56030000 Z=0.73700000
      -3: X=0.56030000 Y=0.46360000 Z=0.76300000
      -3: X=0.43970000 Y=0.53640000 Z=0.23700000
Nb         NPT=  781  R0=.000010000 RMT= 2.48        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.04420000 Y=0.22180000 Z=0.02930000
          MULT= 8          ISPLIT= 8
      -4: X=0.95580000 Y=0.77820000 Z=0.97070000
      -4: X=0.77820000 Y=0.54420000 Z=0.52930000
      -4: X=0.22180000 Y=0.45580000 Z=0.47070000
      -4: X=0.45580000 Y=0.27820000 Z=0.02930000
      -4: X=0.54420000 Y=0.72180000 Z=0.97070000
      -4: X=0.72180000 Y=0.95580000 Z=0.52930000
      -4: X=0.27820000 Y=0.04420000 Z=0.47070000
Si         NPT=  781  R0=.000100000 RMT= 2.12        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000