F   LATTICE,NONEQUIV.ATOMS   9   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
 25.494295 41.301854 41.479489 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.12500000 Z=0.62500000
          MULT= 2          ISPLIT= 8
      -1: X=0.87500000 Y=0.87500000 Z=0.37500000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 8
      -2: X=0.87500000 Y=0.87500000 Z=0.87500000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12500000 Y=0.37230000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -3: X=0.87500000 Y=0.62770000 Z=0.87500000
      -3: X=0.37500000 Y=0.62230000 Z=0.87500000
      -3: X=0.12500000 Y=0.87770000 Z=0.12500000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.33840000 Y=0.00020000 Z=0.19580000
          MULT= 8          ISPLIT= 8
      -4: X=0.66160000 Y=0.99980000 Z=0.80420000
      -4: X=0.58840000 Y=0.25020000 Z=0.80420000
      -4: X=0.91160000 Y=0.24980000 Z=0.19580000
      -4: X=0.66160000 Y=0.25020000 Z=0.44580000
      -4: X=0.33840000 Y=0.24980000 Z=0.05420000
      -4: X=0.91160000 Y=0.00020000 Z=0.05420000
      -4: X=0.58840000 Y=0.99980000 Z=0.44580000
In         NPT=  781  R0=.000010000 RMT= 2.44        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.37480000 Y=0.00060000 Z=0.01140000
          MULT= 8          ISPLIT= 8
      -5: X=0.62520000 Y=0.99940000 Z=0.98860000
      -5: X=0.62480000 Y=0.25060000 Z=0.98860000
      -5: X=0.87520000 Y=0.24940000 Z=0.01140000
      -5: X=0.62520000 Y=0.25060000 Z=0.26140000
      -5: X=0.37480000 Y=0.24940000 Z=0.23860000
      -5: X=0.87520000 Y=0.00060000 Z=0.23860000
      -5: X=0.62480000 Y=0.99940000 Z=0.26140000
In         NPT=  781  R0=.000010000 RMT= 2.44        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00400000 Y=0.08950000 Z=0.50160000
          MULT= 8          ISPLIT= 8
      -6: X=0.99600000 Y=0.91050000 Z=0.49840000
      -6: X=0.25400000 Y=0.33950000 Z=0.49840000
      -6: X=0.24600000 Y=0.16050000 Z=0.50160000
      -6: X=0.99600000 Y=0.33950000 Z=0.75160000
      -6: X=0.00400000 Y=0.16050000 Z=0.74840000
      -6: X=0.24600000 Y=0.08950000 Z=0.74840000
      -6: X=0.25400000 Y=0.91050000 Z=0.75160000
Se         NPT=  781  R0=.000050000 RMT= 2.32        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00140000 Y=0.09030000 Z=0.00160000
          MULT= 8          ISPLIT= 8
      -7: X=0.99860000 Y=0.90970000 Z=0.99840000
      -7: X=0.25140000 Y=0.34030000 Z=0.99840000
      -7: X=0.24860000 Y=0.15970000 Z=0.00160000
      -7: X=0.99860000 Y=0.34030000 Z=0.25160000
      -7: X=0.00140000 Y=0.15970000 Z=0.24840000
      -7: X=0.24860000 Y=0.09030000 Z=0.24840000
      -7: X=0.25140000 Y=0.90970000 Z=0.25160000
Se         NPT=  781  R0=.000050000 RMT= 2.32        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.00850000 Y=0.00090000 Z=0.15750000
          MULT= 8          ISPLIT= 8
      -8: X=0.99150000 Y=0.99910000 Z=0.84250000
      -8: X=0.25850000 Y=0.25090000 Z=0.84250000
      -8: X=0.24150000 Y=0.24910000 Z=0.15750000
      -8: X=0.99150000 Y=0.25090000 Z=0.40750000
      -8: X=0.00850000 Y=0.24910000 Z=0.09250000
      -8: X=0.24150000 Y=0.00090000 Z=0.09250000
      -8: X=0.25850000 Y=0.99910000 Z=0.40750000
Se         NPT=  781  R0=.000050000 RMT= 2.32        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.26830000 Y=0.24770000 Z=0.33800000
          MULT= 8          ISPLIT= 8
      -9: X=0.73170000 Y=0.75230000 Z=0.66200000
      -9: X=0.51830000 Y=0.49770000 Z=0.66200000
      -9: X=0.98170000 Y=0.00230000 Z=0.33800000
      -9: X=0.73170000 Y=0.49770000 Z=0.58800000
      -9: X=0.26830000 Y=0.00230000 Z=0.91200000
      -9: X=0.98170000 Y=0.24770000 Z=0.91200000
      -9: X=0.51830000 Y=0.75230000 Z=0.58800000
Se         NPT=  781  R0=.000050000 RMT= 2.32        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000