P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma    
MODE OF CALC=RELA unit=bohr
 18.840570 14.545222 13.033441 90.000000 90.000000 90.000000
ATOM  -1: X=0.33437000 Y=0.02444000 Z=0.09691000
          MULT= 8          ISPLIT=15
      -1: X=0.66563000 Y=0.97556000 Z=0.90309000
      -1: X=0.83437000 Y=0.02444000 Z=0.40309000
      -1: X=0.16563000 Y=0.97556000 Z=0.59691000
      -1: X=0.16563000 Y=0.52444000 Z=0.59691000
      -1: X=0.83437000 Y=0.47556000 Z=0.40309000
      -1: X=0.66563000 Y=0.52444000 Z=0.90309000
      -1: X=0.33437000 Y=0.47556000 Z=0.09691000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.46756000 Y=0.25000000 Z=0.58960000
          MULT= 4          ISPLIT=15
      -2: X=0.53244000 Y=0.75000000 Z=0.41040000
      -2: X=0.96756000 Y=0.25000000 Z=0.91040000
      -2: X=0.03244000 Y=0.75000000 Z=0.08960000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.10437000 Y=0.25000000 Z=0.30930000
          MULT= 4          ISPLIT=15
      -3: X=0.89563000 Y=0.75000000 Z=0.69070000
      -3: X=0.60437000 Y=0.25000000 Z=0.19070000
      -3: X=0.39563000 Y=0.75000000 Z=0.80930000
Si         NPT=  781  R0=.000100000 RMT=   2.00000   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=0.22540000 Y=0.25000000 Z=0.83890000
          MULT= 4          ISPLIT=15
      -4: X=0.77460000 Y=0.75000000 Z=0.16110000
      -4: X=0.72540000 Y=0.25000000 Z=0.66110000
      -4: X=0.27460000 Y=0.75000000 Z=0.33890000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.07460000 Y=0.05790000 Z=0.19060000
          MULT= 8          ISPLIT=15
      -5: X=0.92540000 Y=0.94210000 Z=0.80940000
      -5: X=0.57460000 Y=0.05790000 Z=0.30940000
      -5: X=0.42540000 Y=0.94210000 Z=0.69060000
      -5: X=0.42540000 Y=0.55790000 Z=0.69060000
      -5: X=0.57460000 Y=0.44210000 Z=0.30940000
      -5: X=0.92540000 Y=0.55790000 Z=0.80940000
      -5: X=0.07460000 Y=0.44210000 Z=0.19060000
N          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.00740000 Y=0.25000000 Z=0.52170000
          MULT= 4          ISPLIT=15
      -6: X=0.99260000 Y=0.75000000 Z=0.47830000
      -6: X=0.50740000 Y=0.25000000 Z=0.97830000
      -6: X=0.49260000 Y=0.75000000 Z=0.02170000
N          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.27460000 Y=0.25000000 Z=0.37260000
          MULT= 4          ISPLIT=15
      -7: X=0.72540000 Y=0.75000000 Z=0.62740000
      -7: X=0.77460000 Y=0.25000000 Z=0.12740000
      -7: X=0.22540000 Y=0.75000000 Z=0.87260000
N          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   7.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000