P   LATTICE,NONEQUIV.ATOMS   4   86 P42/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.805885 20.805885 10.299007 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14100000 Y=0.66500000 Z=0.21200000
          MULT= 8          ISPLIT= 8
      -1: X=0.85900000 Y=0.33500000 Z=0.78800000
      -1: X=0.33500000 Y=0.64100000 Z=0.71200000
      -1: X=0.66500000 Y=0.35900000 Z=0.28800000
      -1: X=0.35900000 Y=0.83500000 Z=0.21200000
      -1: X=0.64100000 Y=0.16500000 Z=0.78800000
      -1: X=0.16500000 Y=0.85900000 Z=0.71200000
      -1: X=0.83500000 Y=0.14100000 Z=0.28800000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.11200000 Y=0.22100000 Z=0.52800000
          MULT= 8          ISPLIT= 8
      -2: X=0.88800000 Y=0.77900000 Z=0.47200000
      -2: X=0.77900000 Y=0.61200000 Z=0.02800000
      -2: X=0.22100000 Y=0.38800000 Z=0.97200000
      -2: X=0.38800000 Y=0.27900000 Z=0.52800000
      -2: X=0.61200000 Y=0.72100000 Z=0.47200000
      -2: X=0.72100000 Y=0.88800000 Z=0.02800000
      -2: X=0.27900000 Y=0.11200000 Z=0.97200000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.53500000 Y=0.07200000 Z=0.26400000
          MULT= 8          ISPLIT= 8
      -3: X=0.46500000 Y=0.92800000 Z=0.73600000
      -3: X=0.92800000 Y=0.03500000 Z=0.76400000
      -3: X=0.07200000 Y=0.96500000 Z=0.23600000
      -3: X=0.96500000 Y=0.42800000 Z=0.26400000
      -3: X=0.03500000 Y=0.57200000 Z=0.73600000
      -3: X=0.57200000 Y=0.46500000 Z=0.76400000
      -3: X=0.42800000 Y=0.53500000 Z=0.23600000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.04200000 Y=0.20800000 Z=0.03500000
          MULT= 8          ISPLIT= 8
      -4: X=0.95800000 Y=0.79200000 Z=0.96500000
      -4: X=0.79200000 Y=0.54200000 Z=0.53500000
      -4: X=0.20800000 Y=0.45800000 Z=0.46500000
      -4: X=0.45800000 Y=0.29200000 Z=0.03500000
      -4: X=0.54200000 Y=0.70800000 Z=0.96500000
      -4: X=0.70800000 Y=0.95800000 Z=0.53500000
      -4: X=0.29200000 Y=0.04200000 Z=0.46500000
Si         NPT=  781  R0=.000100000 RMT= 2.23        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000