P   LATTICE,NONEQUIV.ATOMS   3   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.921278 28.852339 15.592130 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.22360000 Y=0.38950000 Z=0.04950000
          MULT= 8          ISPLIT= 8
      -1: X=0.77640000 Y=0.61050000 Z=0.95050000
      -1: X=0.72360000 Y=0.38950000 Z=0.45050000
      -1: X=0.27640000 Y=0.61050000 Z=0.54950000
      -1: X=0.27640000 Y=0.88950000 Z=0.04950000
      -1: X=0.72360000 Y=0.11050000 Z=0.95050000
      -1: X=0.77640000 Y=0.88950000 Z=0.45050000
      -1: X=0.22360000 Y=0.11050000 Z=0.54950000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33700000 Y=0.29800000 Z=0.39230000
          MULT= 8          ISPLIT= 8
      -2: X=0.66300000 Y=0.70200000 Z=0.60770000
      -2: X=0.83700000 Y=0.29800000 Z=0.10770000
      -2: X=0.16300000 Y=0.70200000 Z=0.89230000
      -2: X=0.16300000 Y=0.79800000 Z=0.39230000
      -2: X=0.83700000 Y=0.20200000 Z=0.60770000
      -2: X=0.66300000 Y=0.79800000 Z=0.10770000
      -2: X=0.33700000 Y=0.20200000 Z=0.89230000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00540000 Y=0.03410000 Z=0.23180000
          MULT= 8          ISPLIT= 8
      -3: X=0.99460000 Y=0.96590000 Z=0.76820000
      -3: X=0.50540000 Y=0.03410000 Z=0.26820000
      -3: X=0.49460000 Y=0.96590000 Z=0.73180000
      -3: X=0.49460000 Y=0.53410000 Z=0.23180000
      -3: X=0.50540000 Y=0.46590000 Z=0.76820000
      -3: X=0.99460000 Y=0.53410000 Z=0.26820000
      -3: X=0.00540000 Y=0.46590000 Z=0.73180000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000