P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.974200  9.135881 30.869243 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.07946000 Y=0.25000000 Z=0.62873000
          MULT= 4          ISPLIT= 8
      -1: X=0.92054000 Y=0.75000000 Z=0.37127000
      -1: X=0.57946000 Y=0.25000000 Z=0.87127000
      -1: X=0.42054000 Y=0.75000000 Z=0.12873000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.12561000 Y=0.25000000 Z=0.19359000
          MULT= 4          ISPLIT= 8
      -2: X=0.87439000 Y=0.75000000 Z=0.80641000
      -2: X=0.62561000 Y=0.25000000 Z=0.30641000
      -2: X=0.37439000 Y=0.75000000 Z=0.69359000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.71026000 Y=0.25000000 Z=0.58378000
          MULT= 4          ISPLIT= 8
      -3: X=0.28974000 Y=0.75000000 Z=0.41622000
      -3: X=0.21026000 Y=0.25000000 Z=0.91622000
      -3: X=0.78974000 Y=0.75000000 Z=0.08378000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.30086000 Y=0.25000000 Z=0.07819000
          MULT= 4          ISPLIT= 8
      -4: X=0.69914000 Y=0.75000000 Z=0.92181000
      -4: X=0.80086000 Y=0.25000000 Z=0.42181000
      -4: X=0.19914000 Y=0.75000000 Z=0.57819000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.36870000 Y=0.25000000 Z=0.78196000
          MULT= 4          ISPLIT= 8
      -5: X=0.63130000 Y=0.75000000 Z=0.21804000
      -5: X=0.86870000 Y=0.25000000 Z=0.71804000
      -5: X=0.13130000 Y=0.75000000 Z=0.28196000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.10098000 Y=0.25000000 Z=0.42517000
          MULT= 4          ISPLIT= 8
      -6: X=0.89902000 Y=0.75000000 Z=0.57483000
      -6: X=0.60098000 Y=0.25000000 Z=0.07483000
      -6: X=0.39902000 Y=0.75000000 Z=0.92517000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.36697000 Y=0.25000000 Z=0.28261000
          MULT= 4          ISPLIT= 8
      -7: X=0.63303000 Y=0.75000000 Z=0.71739000
      -7: X=0.86697000 Y=0.25000000 Z=0.21739000
      -7: X=0.13303000 Y=0.75000000 Z=0.78261000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -8: X=0.40815000 Y=0.25000000 Z=0.54851000
          MULT= 4          ISPLIT= 8
      -8: X=0.59185000 Y=0.75000000 Z=0.45149000
      -8: X=0.90815000 Y=0.25000000 Z=0.95149000
      -8: X=0.09185000 Y=0.75000000 Z=0.04851000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000