P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.036345  7.985038 20.532441 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.24787000 Y=0.25000000 Z=0.32547000
          MULT= 4          ISPLIT= 8
      -1: X=0.75213000 Y=0.75000000 Z=0.67453000
      -1: X=0.74787000 Y=0.25000000 Z=0.17453000
      -1: X=0.25213000 Y=0.75000000 Z=0.82547000
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=0.35432000 Y=0.25000000 Z=0.04103000
          MULT= 4          ISPLIT= 8
      -2: X=0.64568000 Y=0.75000000 Z=0.95897000
      -2: X=0.85432000 Y=0.25000000 Z=0.45897000
      -2: X=0.14568000 Y=0.75000000 Z=0.54103000
Si         NPT=  781  R0=.000100000 RMT= 2.18        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  -3: X=0.47624000 Y=0.25000000 Z=0.65623000
          MULT= 4          ISPLIT= 8
      -3: X=0.52376000 Y=0.75000000 Z=0.34377000
      -3: X=0.97624000 Y=0.25000000 Z=0.84377000
      -3: X=0.02376000 Y=0.75000000 Z=0.15623000
Si         NPT=  781  R0=.000100000 RMT= 2.18        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=0.04180000 Y=0.25000000 Z=0.61886000
          MULT= 4          ISPLIT= 8
      -4: X=0.95820000 Y=0.75000000 Z=0.38114000
      -4: X=0.54180000 Y=0.25000000 Z=0.88114000
      -4: X=0.45820000 Y=0.75000000 Z=0.11886000
Al         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.10130000 Y=0.25000000 Z=0.04776000
          MULT= 4          ISPLIT= 8
      -5: X=0.89870000 Y=0.75000000 Z=0.95224000
      -5: X=0.60130000 Y=0.25000000 Z=0.45224000
      -5: X=0.39870000 Y=0.75000000 Z=0.54776000
Al         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000