P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.880168 12.710676 21.795156 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.48538000 Y=0.25000000 Z=0.80700000
          MULT= 4          ISPLIT= 8
      -1: X=0.51462000 Y=0.75000000 Z=0.19300000
      -1: X=0.98538000 Y=0.25000000 Z=0.69300000
      -1: X=0.01462000 Y=0.75000000 Z=0.30700000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.16129000 Y=0.25000000 Z=0.09466000
          MULT= 4          ISPLIT= 8
      -2: X=0.83871000 Y=0.75000000 Z=0.90534000
      -2: X=0.66129000 Y=0.25000000 Z=0.40534000
      -2: X=0.33871000 Y=0.75000000 Z=0.59466000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.30324000 Y=0.25000000 Z=0.53452000
          MULT= 4          ISPLIT= 8
      -3: X=0.69676000 Y=0.75000000 Z=0.46548000
      -3: X=0.80324000 Y=0.25000000 Z=0.96548000
      -3: X=0.19676000 Y=0.75000000 Z=0.03452000
Si         NPT=  781  R0=.000100000 RMT= 2.25        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  -4: X=0.08338000 Y=0.25000000 Z=0.40989000
          MULT= 4          ISPLIT= 8
      -4: X=0.91662000 Y=0.75000000 Z=0.59011000
      -4: X=0.58338000 Y=0.25000000 Z=0.09011000
      -4: X=0.41662000 Y=0.75000000 Z=0.90989000
Si         NPT=  781  R0=.000100000 RMT= 2.25        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  -5: X=0.30625000 Y=0.07193000 Z=0.35495000
          MULT= 8          ISPLIT= 8
      -5: X=0.69375000 Y=0.92807000 Z=0.64505000
      -5: X=0.80625000 Y=0.07193000 Z=0.14505000
      -5: X=0.19375000 Y=0.92807000 Z=0.85495000
      -5: X=0.19375000 Y=0.57193000 Z=0.85495000
      -5: X=0.80625000 Y=0.42807000 Z=0.14505000
      -5: X=0.69375000 Y=0.57193000 Z=0.64505000
      -5: X=0.30625000 Y=0.42807000 Z=0.35495000
Si         NPT=  781  R0=.000100000 RMT= 2.25        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000