P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.522545 13.224303 18.044995 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.11370000 Y=0.25000000 Z=0.24100000
          MULT= 4          ISPLIT= 8
      -1: X=0.88630000 Y=0.75000000 Z=0.75900000
      -1: X=0.61370000 Y=0.25000000 Z=0.25900000
      -1: X=0.38630000 Y=0.75000000 Z=0.74100000
Ca         NPT=  781  R0=.000050000 RMT= 2.04        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.30320000 Y=0.25000000 Z=0.89470000
          MULT= 4          ISPLIT= 8
      -2: X=0.69680000 Y=0.75000000 Z=0.10530000
      -2: X=0.80320000 Y=0.25000000 Z=0.60530000
      -2: X=0.19680000 Y=0.75000000 Z=0.39470000
Ca         NPT=  781  R0=.000050000 RMT= 2.04        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.31030000 Y=0.25000000 Z=0.55650000
          MULT= 4          ISPLIT= 8
      -3: X=0.68970000 Y=0.75000000 Z=0.44350000
      -3: X=0.81030000 Y=0.25000000 Z=0.94350000
      -3: X=0.18970000 Y=0.75000000 Z=0.05650000
Al         NPT=  781  R0=.000100000 RMT= 1.62        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  -4: X=0.37260000 Y=0.25000000 Z=0.12950000
          MULT= 4          ISPLIT= 8
      -4: X=0.62740000 Y=0.75000000 Z=0.87050000
      -4: X=0.87260000 Y=0.25000000 Z=0.37050000
      -4: X=0.12740000 Y=0.75000000 Z=0.62950000
F          NPT=  781  R0=.000100000 RMT= 1.71        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.02960000 Y=0.25000000 Z=0.00830000
          MULT= 4          ISPLIT= 8
      -5: X=0.97040000 Y=0.75000000 Z=0.99170000
      -5: X=0.52960000 Y=0.25000000 Z=0.49170000
      -5: X=0.47040000 Y=0.75000000 Z=0.50830000
F          NPT=  781  R0=.000100000 RMT= 1.71        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.09650000 Y=0.25000000 Z=0.62650000
          MULT= 4          ISPLIT= 8
      -6: X=0.90350000 Y=0.75000000 Z=0.37350000
      -6: X=0.59650000 Y=0.25000000 Z=0.87350000
      -6: X=0.40350000 Y=0.75000000 Z=0.12650000
F          NPT=  781  R0=.000100000 RMT= 1.71        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.25030000 Y=0.07480000 Z=0.42540000
          MULT= 8          ISPLIT= 8
      -7: X=0.74970000 Y=0.92520000 Z=0.57460000
      -7: X=0.75030000 Y=0.07480000 Z=0.07460000
      -7: X=0.24970000 Y=0.92520000 Z=0.92540000
      -7: X=0.24970000 Y=0.57480000 Z=0.92540000
      -7: X=0.75030000 Y=0.42520000 Z=0.07460000
      -7: X=0.74970000 Y=0.57480000 Z=0.57460000
      -7: X=0.25030000 Y=0.42520000 Z=0.42540000
F          NPT=  781  R0=.000100000 RMT= 1.71        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.13070000 Y=0.57190000 Z=0.18480000
          MULT= 8          ISPLIT= 8
      -8: X=0.86930000 Y=0.42810000 Z=0.81520000
      -8: X=0.63070000 Y=0.57190000 Z=0.31520000
      -8: X=0.36930000 Y=0.42810000 Z=0.68480000
      -8: X=0.36930000 Y=0.07190000 Z=0.68480000
      -8: X=0.63070000 Y=0.92810000 Z=0.31520000
      -8: X=0.86930000 Y=0.07190000 Z=0.81520000
      -8: X=0.13070000 Y=0.92810000 Z=0.18480000
F          NPT=  781  R0=.000100000 RMT= 1.71        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000