P   LATTICE,NONEQUIV.ATOMS   8   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.680878 19.289191 28.011977 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.24137000 Y=0.00968000 Z=0.06500000
          MULT= 8          ISPLIT= 8
      -1: X=0.75863000 Y=0.99032000 Z=0.93500000
      -1: X=0.74137000 Y=0.00968000 Z=0.43500000
      -1: X=0.25863000 Y=0.99032000 Z=0.56500000
      -1: X=0.25863000 Y=0.50968000 Z=0.06500000
      -1: X=0.74137000 Y=0.49032000 Z=0.93500000
      -1: X=0.75863000 Y=0.50968000 Z=0.43500000
      -1: X=0.24137000 Y=0.49032000 Z=0.56500000
Ca         NPT=  781  R0=.000050000 RMT= 2.32        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=0.34622000 Y=0.27408000 Z=0.18759000
          MULT= 8          ISPLIT= 8
      -2: X=0.65378000 Y=0.72592000 Z=0.81241000
      -2: X=0.84622000 Y=0.27408000 Z=0.31241000
      -2: X=0.15378000 Y=0.72592000 Z=0.68759000
      -2: X=0.15378000 Y=0.77408000 Z=0.18759000
      -2: X=0.84622000 Y=0.22592000 Z=0.81241000
      -2: X=0.65378000 Y=0.77408000 Z=0.31241000
      -2: X=0.34622000 Y=0.22592000 Z=0.68759000
Ca         NPT=  781  R0=.000050000 RMT= 2.32        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=0.22653000 Y=0.01663000 Z=0.31208000
          MULT= 8          ISPLIT= 8
      -3: X=0.77347000 Y=0.98337000 Z=0.68792000
      -3: X=0.72653000 Y=0.01663000 Z=0.18792000
      -3: X=0.27347000 Y=0.98337000 Z=0.81208000
      -3: X=0.27347000 Y=0.51663000 Z=0.31208000
      -3: X=0.72653000 Y=0.48337000 Z=0.68792000
      -3: X=0.77347000 Y=0.51663000 Z=0.18792000
      -3: X=0.22653000 Y=0.48337000 Z=0.81208000
Si         NPT=  781  R0=.000100000 RMT= 1.54        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=0.31720000 Y=0.27003000 Z=0.43722000
          MULT= 8          ISPLIT= 8
      -4: X=0.68280000 Y=0.72997000 Z=0.56278000
      -4: X=0.81720000 Y=0.27003000 Z=0.06278000
      -4: X=0.18280000 Y=0.72997000 Z=0.93722000
      -4: X=0.18280000 Y=0.77003000 Z=0.43722000
      -4: X=0.81720000 Y=0.22997000 Z=0.56278000
      -4: X=0.68280000 Y=0.77003000 Z=0.06278000
      -4: X=0.31720000 Y=0.22997000 Z=0.93722000
Si         NPT=  781  R0=.000100000 RMT= 1.54        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=0.09490000 Y=0.47740000 Z=0.21549000
          MULT= 8          ISPLIT= 8
      -5: X=0.90510000 Y=0.52260000 Z=0.78451000
      -5: X=0.59490000 Y=0.47740000 Z=0.28451000
      -5: X=0.40510000 Y=0.52260000 Z=0.71549000
      -5: X=0.40510000 Y=0.97740000 Z=0.21549000
      -5: X=0.59490000 Y=0.02260000 Z=0.78451000
      -5: X=0.90510000 Y=0.97740000 Z=0.28451000
      -5: X=0.09490000 Y=0.02260000 Z=0.71549000
N          NPT=  781  R0=.000100000 RMT= 1.70        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.14950000 Y=0.27610000 Z=0.03544000
          MULT= 8          ISPLIT= 8
      -6: X=0.85050000 Y=0.72390000 Z=0.96456000
      -6: X=0.64950000 Y=0.27610000 Z=0.46456000
      -6: X=0.35050000 Y=0.72390000 Z=0.53544000
      -6: X=0.35050000 Y=0.77610000 Z=0.03544000
      -6: X=0.64950000 Y=0.22390000 Z=0.96456000
      -6: X=0.85050000 Y=0.77610000 Z=0.46456000
      -6: X=0.14950000 Y=0.22390000 Z=0.53544000
N          NPT=  781  R0=.000100000 RMT= 1.70        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.19720000 Y=0.42680000 Z=0.40904000
          MULT= 8          ISPLIT= 8
      -7: X=0.80280000 Y=0.57320000 Z=0.59096000
      -7: X=0.69720000 Y=0.42680000 Z=0.09096000
      -7: X=0.30280000 Y=0.57320000 Z=0.90904000
      -7: X=0.30280000 Y=0.92680000 Z=0.40904000
      -7: X=0.69720000 Y=0.07320000 Z=0.59096000
      -7: X=0.80280000 Y=0.92680000 Z=0.09096000
      -7: X=0.19720000 Y=0.07320000 Z=0.90904000
N          NPT=  781  R0=.000100000 RMT= 1.70        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.27620000 Y=0.17980000 Z=0.33824000
          MULT= 8          ISPLIT= 8
      -8: X=0.72380000 Y=0.82020000 Z=0.66176000
      -8: X=0.77620000 Y=0.17980000 Z=0.16176000
      -8: X=0.22380000 Y=0.82020000 Z=0.83824000
      -8: X=0.22380000 Y=0.67980000 Z=0.33824000
      -8: X=0.77620000 Y=0.32020000 Z=0.66176000
      -8: X=0.72380000 Y=0.67980000 Z=0.16176000
      -8: X=0.27620000 Y=0.32020000 Z=0.83824000
N          NPT=  781  R0=.000100000 RMT= 1.70        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000