P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.630929 24.849899 13.184619 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15900000 Y=0.62700000 Z=0.16600000
          MULT= 8          ISPLIT= 8
      -1: X=0.84100000 Y=0.37300000 Z=0.83400000
      -1: X=0.65900000 Y=0.62700000 Z=0.33400000
      -1: X=0.34100000 Y=0.37300000 Z=0.66600000
      -1: X=0.34100000 Y=0.12700000 Z=0.66600000
      -1: X=0.65900000 Y=0.87300000 Z=0.33400000
      -1: X=0.84100000 Y=0.12700000 Z=0.83400000
      -1: X=0.15900000 Y=0.87300000 Z=0.16600000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.00900000 Y=0.09300000 Z=0.32500000
          MULT= 8          ISPLIT= 8
      -2: X=0.99100000 Y=0.90700000 Z=0.67500000
      -2: X=0.50900000 Y=0.09300000 Z=0.17500000
      -2: X=0.49100000 Y=0.90700000 Z=0.82500000
      -2: X=0.49100000 Y=0.59300000 Z=0.82500000
      -2: X=0.50900000 Y=0.40700000 Z=0.17500000
      -2: X=0.99100000 Y=0.59300000 Z=0.67500000
      -2: X=0.00900000 Y=0.40700000 Z=0.32500000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.16500000 Y=0.25000000 Z=0.01200000
          MULT= 4          ISPLIT= 8
      -3: X=0.83500000 Y=0.75000000 Z=0.98800000
      -3: X=0.66500000 Y=0.25000000 Z=0.48800000
      -3: X=0.33500000 Y=0.75000000 Z=0.51200000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.32200000 Y=0.54200000 Z=0.45900000
          MULT= 8          ISPLIT= 8
      -4: X=0.67800000 Y=0.45800000 Z=0.54100000
      -4: X=0.82200000 Y=0.54200000 Z=0.04100000
      -4: X=0.17800000 Y=0.45800000 Z=0.95900000
      -4: X=0.17800000 Y=0.04200000 Z=0.95900000
      -4: X=0.82200000 Y=0.95800000 Z=0.04100000
      -4: X=0.67800000 Y=0.04200000 Z=0.54100000
      -4: X=0.32200000 Y=0.95800000 Z=0.45900000
Si         NPT=  781  R0=.000100000 RMT= 2.10        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=0.03700000 Y=0.25000000 Z=0.62100000
          MULT= 4          ISPLIT= 8
      -5: X=0.96300000 Y=0.75000000 Z=0.37900000
      -5: X=0.53700000 Y=0.25000000 Z=0.87900000
      -5: X=0.46300000 Y=0.75000000 Z=0.12100000
Si         NPT=  781  R0=.000100000 RMT= 2.10        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.30900000 Y=0.25000000 Z=0.35400000
          MULT= 4          ISPLIT= 8
      -6: X=0.69100000 Y=0.75000000 Z=0.64600000
      -6: X=0.80900000 Y=0.25000000 Z=0.14600000
      -6: X=0.19100000 Y=0.75000000 Z=0.85400000
Si         NPT=  781  R0=.000100000 RMT= 2.10        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000