P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.905370 18.003421 16.162828 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.32410000 Y=0.01930000 Z=0.08350000
          MULT= 8          ISPLIT= 8
      -1: X=0.67590000 Y=0.98070000 Z=0.91650000
      -1: X=0.82410000 Y=0.01930000 Z=0.41650000
      -1: X=0.17590000 Y=0.98070000 Z=0.58350000
      -1: X=0.17590000 Y=0.51930000 Z=0.58350000
      -1: X=0.82410000 Y=0.48070000 Z=0.41650000
      -1: X=0.67590000 Y=0.51930000 Z=0.91650000
      -1: X=0.32410000 Y=0.48070000 Z=0.08350000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.47540000 Y=0.25000000 Z=0.60120000
          MULT= 4          ISPLIT= 8
      -2: X=0.52460000 Y=0.75000000 Z=0.39880000
      -2: X=0.97540000 Y=0.25000000 Z=0.89880000
      -2: X=0.02460000 Y=0.75000000 Z=0.10120000
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=0.10030000 Y=0.25000000 Z=0.30820000
          MULT= 4          ISPLIT= 8
      -3: X=0.89970000 Y=0.75000000 Z=0.69180000
      -3: X=0.60030000 Y=0.25000000 Z=0.19180000
      -3: X=0.39970000 Y=0.75000000 Z=0.80820000
Si         NPT=  781  R0=.000100000 RMT= 1.91        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=0.06120000 Y=0.05990000 Z=0.18730000
          MULT= 8          ISPLIT= 8
      -4: X=0.93880000 Y=0.94010000 Z=0.81270000
      -4: X=0.56120000 Y=0.05990000 Z=0.31270000
      -4: X=0.43880000 Y=0.94010000 Z=0.68730000
      -4: X=0.43880000 Y=0.55990000 Z=0.68730000
      -4: X=0.56120000 Y=0.44010000 Z=0.31270000
      -4: X=0.93880000 Y=0.55990000 Z=0.81270000
      -4: X=0.06120000 Y=0.44010000 Z=0.18730000
S          NPT=  781  R0=.000100000 RMT= 2.11        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00660000 Y=0.25000000 Z=0.52300000
          MULT= 4          ISPLIT= 8
      -5: X=0.99340000 Y=0.75000000 Z=0.47700000
      -5: X=0.50660000 Y=0.25000000 Z=0.97700000
      -5: X=0.49340000 Y=0.75000000 Z=0.02300000
S          NPT=  781  R0=.000100000 RMT= 2.11        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.23120000 Y=0.25000000 Z=0.82150000
          MULT= 4          ISPLIT= 8
      -6: X=0.76880000 Y=0.75000000 Z=0.17850000
      -6: X=0.73120000 Y=0.25000000 Z=0.67850000
      -6: X=0.26880000 Y=0.75000000 Z=0.32150000
S          NPT=  781  R0=.000100000 RMT= 2.11        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.27640000 Y=0.25000000 Z=0.35690000
          MULT= 4          ISPLIT= 8
      -7: X=0.72360000 Y=0.75000000 Z=0.64310000
      -7: X=0.77640000 Y=0.25000000 Z=0.14310000
      -7: X=0.22360000 Y=0.75000000 Z=0.85690000
S          NPT=  781  R0=.000100000 RMT= 2.11        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000